4-N-(9,9-dimethylfluoren-1-yl)-4-N-naphtho[6,7-b][1]benzofuran-10-yl-1-N-phenyl-1-N-(9-phenylcarbazol-2-yl)benzene-1,4-diamine;4-N-naphthalen-2-yl-4-N-naphtho[2,3-b][1]benzofuran-6-yl-1-N-phenyl-1-N-(9-phenylcarbazol-2-yl)benzene-1,4-diamine;4-N-naphtho[7,6-b][1]benzofuran-7-yl-1-N-phenyl-1-N,4-N-bis(9-phenylcarbazol-2-yl)benzene-1,4-diamine

C181H122N10O3 — CID 165054555

IUPAC4-N-(9,9-dimethylfluoren-1-yl)-4-N-naphtho[6,7-b][1]benzofuran-10-yl-1-N-phenyl-1-N-(9-phenylcarbazol-2-yl)benzene-1,4-diamine;4-N-naphthalen-2-yl-4-N-naphtho[2,3-b][1]benzofuran-6-yl-1-N-phenyl-1-N-(9-phenylcarbazol-2-yl)benzene-1,4-diamine;4-N-naphtho[7,6-b][1]benzofuran-7-yl-1-N-phenyl-1-N,4-N-bis(9-phenylcarbazol-2-yl)benzene-1,4-diamine
SMILESCC1(C)c2ccccc2-c2cccc(N(c3ccc(N(c4ccccc4)c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc3)c3cccc4cc5oc6ccccc6c5cc34)c21.c1ccc(N(c2ccc(N(c3ccc4c5ccccc5n(-c5ccccc5)c4c3)c3cccc4cc5c(cc34)oc3ccccc35)cc2)c2ccc3c4ccccc4n(-c4ccccc4)c3c2)cc1.c1ccc(N(c2ccc(N(c3ccc4ccccc4c3)c3c4ccccc4cc4c3oc3ccccc34)cc2)c2ccc3c4ccccc4n(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C64H42N4O.C61H43N3O.C56H37N3O/c1-4-18-44(19-5-1)65(49-35-37-53-51-24-10-13-27-58(51)67(61(53)40-49)45-20-6-2-7-21-45)47-31-33-48(34-32-47)66(60-29-16-17-43-39-57-55-26-12-15-30-63(55)69-64(57)42-56(43)60)50-36-38-54-52-25-11-14-28-59(52)68(62(54)41-50)46-22-8-3-9-23-46;1-61(2)53-26-12-9-22-46(53)50-25-16-29-56(60(50)61)63(55-28-15-17-40-37-59-52(39-51(40)55)49-24-11-14-30-58(49)65-59)44-33-31-43(32-34-44)62(41-18-5-3-6-19-41)45-35-36-48-47-23-10-13-27-54(47)64(57(48)38-45)42-20-7-4-8-21-42;1-3-18-41(19-4-1)57(46-33-34-49-48-23-11-13-25-52(48)59(53(49)37-46)42-20-5-2-6-21-42)43-29-31-44(32-30-43)58(45-28-27-38-15-7-8-16-39(38)35-45)55-47-22-10-9-17-40(47)36-51-50-24-12-14-26-54(50)60-56(51)55/h1-42H;3-39H,1-2H3;1-37H
InChIKeyQEVQWZHXXJXGBK-UHFFFAOYSA-N
MW2485.03 g/mol
LogP50.88
Rot. Bonds22

About 4-N-(9,9-dimethylfluoren-1-yl)-4-N-naphtho[6,7-b][1]benzofuran-10-yl-1-N-phenyl-1-N-(9-phenylcarbazol-2-yl)benzene-1,4-diamine;4-N-naphthalen-2-yl-4-N-naphtho[2,3-b][1]benzofuran-6-yl-1-N-phenyl-1-N-(9-phenylcarbazol-2-yl)benzene-1,4-diamine;4-N-naphtho[7,6-b][1]benzofuran-7-yl-1-N-phenyl-1-N,4-N-bis(9-phenylcarbazol-2-yl)benzene-1,4-diamine

4-N-(9,9-dimethylfluoren-1-yl)-4-N-naphtho[6,7-b][1]benzofuran-10-yl-1-N-phenyl-1-N-(9-phenylcarbazol-2-yl)benzene-1,4-diamine;4-N-naphthalen-2-yl-4-N-naphtho[2,3-b][1]benzofuran-6-yl-1-N-phenyl-1-N-(9-phenylcarbazol-2-yl)benzene-1,4-diamine;4-N-naphtho[7,6-b][1]benzofuran-7-yl-1-N-phenyl-1-N,4-N-bis(9-phenylcarbazol-2-yl)benzene-1,4-diamine (PubChem CID 165054555) has the molecular formula C181H122N10O3 and a molecular weight of 2485.03 g/mol. Its IUPAC name is 4-N-(9,9-dimethylfluoren-1-yl)-4-N-naphtho[6,7-b][1]benzofuran-10-yl-1-N-phenyl-1-N-(9-phenylcarbazol-2-yl)benzene-1,4-diamine;4-N-naphthalen-2-yl-4-N-naphtho[2,3-b][1]benzofuran-6-yl-1-N-phenyl-1-N-(9-phenylcarbazol-2-yl)benzene-1,4-diamine;4-N-naphtho[7,6-b][1]benzofuran-7-yl-1-N-phenyl-1-N,4-N-bis(9-phenylcarbazol-2-yl)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(9,9-dimethylfluoren-1-yl)-4-N-naphtho[6,7-b][1]benzofuran-10-yl-1-N-phenyl-1-N-(9-phenylcarbazol-2-yl)benzene-1,4-diamine;4-N-naphthalen-2-yl-4-N-naphtho[2,3-b][1]benzofuran-6-yl-1-N-phenyl-1-N-(9-phenylcarbazol-2-yl)benzene-1,4-diamine;4-N-naphtho[7,6-b][1]benzofuran-7-yl-1-N-phenyl-1-N,4-N-bis(9-phenylcarbazol-2-yl)benzene-1,4-diamine
PubChem CID165054555
Molecular FormulaC181H122N10O3
Molecular Weight2485.03 g/mol
Exact Mass2482.97
IUPAC Name4-N-(9,9-dimethylfluoren-1-yl)-4-N-naphtho[6,7-b][1]benzofuran-10-yl-1-N-phenyl-1-N-(9-phenylcarbazol-2-yl)benzene-1,4-diamine;4-N-naphthalen-2-yl-4-N-naphtho[2,3-b][1]benzofuran-6-yl-1-N-phenyl-1-N-(9-phenylcarbazol-2-yl)benzene-1,4-diamine;4-N-naphtho[7,6-b][1]benzofuran-7-yl-1-N-phenyl-1-N,4-N-bis(9-phenylcarbazol-2-yl)benzene-1,4-diamine
SMILESCC1(C)c2ccccc2-c2cccc(N(c3ccc(N(c4ccccc4)c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc3)c3cccc4cc5oc6ccccc6c5cc34)c21.c1ccc(N(c2ccc(N(c3ccc4c5ccccc5n(-c5ccccc5)c4c3)c3cccc4cc5c(cc34)oc3ccccc35)cc2)c2ccc3c4ccccc4n(-c4ccccc4)c3c2)cc1.c1ccc(N(c2ccc(N(c3ccc4ccccc4c3)c3c4ccccc4cc4c3oc3ccccc34)cc2)c2ccc3c4ccccc4n(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C64H42N4O.C61H43N3O.C56H37N3O/c1-4-18-44(19-5-1)65(49-35-37-53-51-24-10-13-27-58(51)67(61(53)40-49)45-20-6-2-7-21-45)47-31-33-48(34-32-47)66(60-29-16-17-43-39-57-55-26-12-15-30-63(55)69-64(57)42-56(43)60)50-36-38-54-52-25-11-14-28-59(52)68(62(54)41-50)46-22-8-3-9-23-46;1-61(2)53-26-12-9-22-46(53)50-25-16-29-56(60(50)61)63(55-28-15-17-40-37-59-52(39-51(40)55)49-24-11-14-30-58(49)65-59)44-33-31-43(32-34-44)62(41-18-5-3-6-19-41)45-35-36-48-47-23-10-13-27-54(47)64(57(48)38-45)42-20-7-4-8-21-42;1-3-18-41(19-4-1)57(46-33-34-49-48-23-11-13-25-52(48)59(53(49)37-46)42-20-5-2-6-21-42)43-29-31-44(32-30-43)58(45-28-27-38-15-7-8-16-39(38)35-45)55-47-22-10-9-17-40(47)36-51-50-24-12-14-26-54(50)60-56(51)55/h1-42H;3-39H,1-2H3;1-37H
InChIKeyQEVQWZHXXJXGBK-UHFFFAOYSA-N
XLogP50.88
TPSA78.58 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds22
Heavy Atoms194
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002485.03
LogP ≤ 550.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 4-N-(9,9-dimethylfluoren-1-yl)-4-N-naphtho[6,7-b][1]benzofuran-10-yl-1-N-phenyl-1-N-(9-phenylcarbazol-2-yl)benzene-1,4-diamine;4-N-naphthalen-2-yl-4-N-naphtho[2,3-b][1]benzofuran-6-yl-1-N-phenyl-1-N-(9-phenylcarbazol-2-yl)benzene-1,4-diamine;4-N-naphtho[7,6-b][1]benzofuran-7-yl-1-N-phenyl-1-N,4-N-bis(9-phenylcarbazol-2-yl)benzene-1,4-diamine with MolForge

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Related Compounds

3-N-(3,5-dimethylphenyl)-1-N-naphtho[6,7-b][1]benzofuran-10-yl-1-N-phenyl-3-N-(9-phenylcarbazol-2-yl)benzene-1,3-diamine;1-N-naphtho[2,3-b][1]benzofuran-9-yl-1-N,3-N-diphenyl-3-N-(9-phenylcarbazol-2-yl)benzene-1,3-diamine;1-N-naphtho[3,2-b][1]benzofuran-8-yl-1-N,3-N-diphenyl-3-N-(9-phenylcarbazol-2-yl)benzene-1,3-diamine
CID 165003714
N,N-bis(4-dibenzofuran-4-ylphenyl)-5-phenylbenzo[b]carbazol-9-amine;N-(4-dibenzofuran-3-ylphenyl)-N,5-diphenylbenzo[b]carbazol-11-amine;N-dibenzothiophen-4-yl-N,5-diphenylbenzo[b]carbazol-8-amine;N-(9,9-dimethylfluoren-2-yl)-N,5-diphenylbenzo[b]carbazol-10-amine
CID 165069906
N,N-bis(4-phenylphenyl)-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-18-amine;N-(3-carbazol-9-ylphenyl)-N-(4-phenylphenyl)-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-16-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-18-amine
CID 159900212
3-N-(3,5-dimethylphenyl)-1-N-naphtho[6,7-b][1]benzofuran-10-yl-1-N-phenyl-3-N-(9-phenylcarbazol-2-yl)benzene-1,3-diamine;1-N-naphtho[2,3-b][1]benzofuran-9-yl-1-N,3-N-diphenyl-3-N-(9-phenylcarbazol-2-yl)benzene-1,3-diamine;1-N-naphtho[3,2-b][1]benzofuran-8-yl-1-N,3-N-diphenyl-3-N-(9-phenylcarbazol-2-yl)benzene-1,3-diamine;3-N-naphtho[3,2-b][1]benzofuran-11-yl-1-N,3-N-diphenyl-1-N-(9-phenylcarbazol-2-yl)benzene-1,3-diamine;3-N-naphtho[1,2-b][1]benzofuran-7-yl-1-N-phenyl-1-N-(9-phenylcarbazol-2-yl)-3-N-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)benzene-1,3-diamine
CID 165056625
1-N-dibenzofuran-2-yl-3-N-(9,9-dimethylfluoren-2-yl)-1-N,3-N-diphenyl-5-(9-phenylcarbazol-3-yl)benzene-1,3-diamine;3-N-dibenzofuran-4-yl-1-N-(9,9-dimethylfluoren-2-yl)-1-N,3-N-diphenyl-5-(9-phenylcarbazol-3-yl)benzene-1,3-diamine;3-N-naphthalen-1-yl-1-N-naphthalen-2-yl-1-N,3-N-diphenyl-5-[4-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine
CID 159339591
N-(4-carbazol-9-ylphenyl)-10-dibenzofuran-3-yl-N-naphthalen-2-ylphenoxazin-3-amine;10-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-2-yl)-N-(3-phenylphenyl)phenoxazin-3-amine;10-dibenzofuran-3-yl-N-naphthalen-2-yl-N-(9-phenylcarbazol-2-yl)phenoxazin-3-amine
CID 165037780
N-(10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-18-yl)-N,9-diphenylcarbazol-2-amine
CID 170779093
N-(9,9-dimethylfluoren-1-yl)-8-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 138484695
1-N-naphtho[2,3-b][1]benzofuran-2-yl-1-N,4-N-diphenyl-4-N-(9-phenylcarbazol-2-yl)benzene-1,4-diamine;4-N-naphtho[2,3-b][1]benzofuran-1-yl-1-N,4-N-diphenyl-1-N-(9-phenylcarbazol-2-yl)benzene-1,4-diamine;4-N-naphtho[2,3-b][1]benzofuran-3-yl-1-N,4-N-diphenyl-1-N-(9-phenylcarbazol-2-yl)benzene-1,4-diamine;4-N-naphtho[2,3-b][1]benzofuran-4-yl-1-N,4-N-diphenyl-1-N-(9-phenylcarbazol-2-yl)benzene-1,4-diamine
CID 165100734
4-(4-carbazol-9-ylphenyl)-N-(3-dibenzofuran-1-ylphenyl)-N-(9,9-dimethylfluoren-1-yl)dibenzofuran-3-amine
CID 176609471
2-N'-naphthalen-2-yl-1-N,1-N-diphenyl-2-N'-(9-phenylcarbazol-2-yl)-9,9'-spirobi[fluorene]-1,2'-diamine
CID 164838093
11,11-dimethyl-N,N-bis(3-phenylphenyl)fluoreno[6,7-b][1]benzofuran-10-amine;11,11-dimethyl-N,N-bis(4-phenylphenyl)fluoreno[6,7-b][1]benzofuran-10-amine;N-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-5-yl)-1-phenyl-N-triphenylen-2-ylindol-6-amine;11,11-dimethyl-N-naphthalen-1-yl-N-(4-phenylphenyl)fluoreno[6,7-b][1]benzofuran-10-amine;11,11-dimethyl-N-naphthalen-2-yl-N-(4-phenylphenyl)fluoreno[6,7-b][1]benzofuran-10-amine;11,11-dimethyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)fluoreno[6,7-b][1]benzofuran-10-amine
CID 161363428

Frequently Asked Questions

What is the IUPAC name of 4-N-(9,9-dimethylfluoren-1-yl)-4-N-naphtho[6,7-b][1]benzofuran-10-yl-1-N-phenyl-1-N-(9-phenylcarbazol-2-yl)benzene-1,4-diamine;4-N-naphthalen-2-yl-4-N-naphtho[2,3-b][1]benzofuran-6-yl-1-N-phenyl-1-N-(9-phenylcarbazol-2-yl)benzene-1,4-diamine;4-N-naphtho[7,6-b][1]benzofuran-7-yl-1-N-phenyl-1-N,4-N-bis(9-phenylcarbazol-2-yl)benzene-1,4-diamine?
The IUPAC name of 4-N-(9,9-dimethylfluoren-1-yl)-4-N-naphtho[6,7-b][1]benzofuran-10-yl-1-N-phenyl-1-N-(9-phenylcarbazol-2-yl)benzene-1,4-diamine;4-N-naphthalen-2-yl-4-N-naphtho[2,3-b][1]benzofuran-6-yl-1-N-phenyl-1-N-(9-phenylcarbazol-2-yl)benzene-1,4-diamine;4-N-naphtho[7,6-b][1]benzofuran-7-yl-1-N-phenyl-1-N,4-N-bis(9-phenylcarbazol-2-yl)benzene-1,4-diamine (CID 165054555) is 4-N-(9,9-dimethylfluoren-1-yl)-4-N-naphtho[6,7-b][1]benzofuran-10-yl-1-N-phenyl-1-N-(9-phenylcarbazol-2-yl)benzene-1,4-diamine;4-N-naphthalen-2-yl-4-N-naphtho[2,3-b][1]benzofuran-6-yl-1-N-phenyl-1-N-(9-phenylcarbazol-2-yl)benzene-1,4-diamine;4-N-naphtho[7,6-b][1]benzofuran-7-yl-1-N-phenyl-1-N,4-N-bis(9-phenylcarbazol-2-yl)benzene-1,4-diamine.
What is the SMILES notation for 4-N-(9,9-dimethylfluoren-1-yl)-4-N-naphtho[6,7-b][1]benzofuran-10-yl-1-N-phenyl-1-N-(9-phenylcarbazol-2-yl)benzene-1,4-diamine;4-N-naphthalen-2-yl-4-N-naphtho[2,3-b][1]benzofuran-6-yl-1-N-phenyl-1-N-(9-phenylcarbazol-2-yl)benzene-1,4-diamine;4-N-naphtho[7,6-b][1]benzofuran-7-yl-1-N-phenyl-1-N,4-N-bis(9-phenylcarbazol-2-yl)benzene-1,4-diamine?
The canonical SMILES for 4-N-(9,9-dimethylfluoren-1-yl)-4-N-naphtho[6,7-b][1]benzofuran-10-yl-1-N-phenyl-1-N-(9-phenylcarbazol-2-yl)benzene-1,4-diamine;4-N-naphthalen-2-yl-4-N-naphtho[2,3-b][1]benzofuran-6-yl-1-N-phenyl-1-N-(9-phenylcarbazol-2-yl)benzene-1,4-diamine;4-N-naphtho[7,6-b][1]benzofuran-7-yl-1-N-phenyl-1-N,4-N-bis(9-phenylcarbazol-2-yl)benzene-1,4-diamine is CC1(C)c2ccccc2-c2cccc(N(c3ccc(N(c4ccccc4)c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc3)c3cccc4cc5oc6ccccc6c5cc34)c21.c1ccc(N(c2ccc(N(c3ccc4c5ccccc5n(-c5ccccc5)c4c3)c3cccc4cc5c(cc34)oc3ccccc35)cc2)c2ccc3c4ccccc4n(-c4ccccc4)c3c2)cc1.c1ccc(N(c2ccc(N(c3ccc4ccccc4c3)c3c4ccccc4cc4c3oc3ccccc34)cc2)c2ccc3c4ccccc4n(-c4ccccc4)c3c2)cc1.
What is the InChIKey of 4-N-(9,9-dimethylfluoren-1-yl)-4-N-naphtho[6,7-b][1]benzofuran-10-yl-1-N-phenyl-1-N-(9-phenylcarbazol-2-yl)benzene-1,4-diamine;4-N-naphthalen-2-yl-4-N-naphtho[2,3-b][1]benzofuran-6-yl-1-N-phenyl-1-N-(9-phenylcarbazol-2-yl)benzene-1,4-diamine;4-N-naphtho[7,6-b][1]benzofuran-7-yl-1-N-phenyl-1-N,4-N-bis(9-phenylcarbazol-2-yl)benzene-1,4-diamine?
The InChIKey is QEVQWZHXXJXGBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H42N4O.C61H43N3O.C56H37N3O/c1-4-18-44(19-5-1)65(49-35-37-53-51-24-10-13-27-58(51)67(61(53)40-49)45-20-6-2-7-21-45)47-31-33-48(34-32-47)66(60-29-16-17-43-39-57-55-26-12-15-30-63(55)69-64(57)42-56(43)60)50-36-38-54-52-25-11-14-28-59(52)68(62(54)41-50)46-22-8-3-9-23-46;1-61(2)53-26-12-9-22-46(53)50-25-16-29-56(60(50)61)63(55-28-15-17-40-37-59-52(39-51(40)55)49-24-11-14-30-58(49)65-59)44-33-31-43(32-34-44)62(41-18-5-3-6-19-41)45-35-36-48-47-23-10-13-27-54(47)64(57(48)38-45)42-20-7-4-8-21-42;1-3-18-41(19-4-1)57(46-33-34-49-48-23-11-13-25-52(48)59(53(49)37-46)42-20-5-2-6-21-42)43-29-31-44(32-30-43)58(45-28-27-38-15-7-8-16-39(38)35-45)55-47-22-10-9-17-40(47)36-51-50-24-12-14-26-54(50)60-56(51)55/h1-42H;3-39H,1-2H3;1-37H.
What are the key properties of 4-N-(9,9-dimethylfluoren-1-yl)-4-N-naphtho[6,7-b][1]benzofuran-10-yl-1-N-phenyl-1-N-(9-phenylcarbazol-2-yl)benzene-1,4-diamine;4-N-naphthalen-2-yl-4-N-naphtho[2,3-b][1]benzofuran-6-yl-1-N-phenyl-1-N-(9-phenylcarbazol-2-yl)benzene-1,4-diamine;4-N-naphtho[7,6-b][1]benzofuran-7-yl-1-N-phenyl-1-N,4-N-bis(9-phenylcarbazol-2-yl)benzene-1,4-diamine?
4-N-(9,9-dimethylfluoren-1-yl)-4-N-naphtho[6,7-b][1]benzofuran-10-yl-1-N-phenyl-1-N-(9-phenylcarbazol-2-yl)benzene-1,4-diamine;4-N-naphthalen-2-yl-4-N-naphtho[2,3-b][1]benzofuran-6-yl-1-N-phenyl-1-N-(9-phenylcarbazol-2-yl)benzene-1,4-diamine;4-N-naphtho[7,6-b][1]benzofuran-7-yl-1-N-phenyl-1-N,4-N-bis(9-phenylcarbazol-2-yl)benzene-1,4-diamine has a molecular weight of 2485.03 g/mol, XLogP of 50.88, 22 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(9,9-dimethylfluoren-1-yl)-4-N-naphtho[6,7-b][1]benzofuran-10-yl-1-N-phenyl-1-N-(9-phenylcarbazol-2-yl)benzene-1,4-diamine;4-N-naphthalen-2-yl-4-N-naphtho[2,3-b][1]benzofuran-6-yl-1-N-phenyl-1-N-(9-phenylcarbazol-2-yl)benzene-1,4-diamine;4-N-naphtho[7,6-b][1]benzofuran-7-yl-1-N-phenyl-1-N,4-N-bis(9-phenylcarbazol-2-yl)benzene-1,4-diamine is sourced from PubChem (CID 165054555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).