N-dibenzofuran-1-yl-N-dibenzofuran-4-yl-9-phenylcarbazol-3-amine;N-dibenzofuran-1-yl-N-dibenzothiophen-1-yl-9-phenylcarbazol-3-amine;N-dibenzofuran-1-yl-N-dibenzothiophen-3-yl-9-phenylcarbazol-3-amine;N-dibenzofuran-1-yl-N-[4-(4-fluorophenyl)phenyl]-9-phenylcarbazol-3-amine

C168H105FN8O5S2 — CID 162144524

IUPACN-dibenzofuran-1-yl-N-dibenzofuran-4-yl-9-phenylcarbazol-3-amine;N-dibenzofuran-1-yl-N-dibenzothiophen-1-yl-9-phenylcarbazol-3-amine;N-dibenzofuran-1-yl-N-dibenzothiophen-3-yl-9-phenylcarbazol-3-amine;N-dibenzofuran-1-yl-N-[4-(4-fluorophenyl)phenyl]-9-phenylcarbazol-3-amine
SMILESFc1ccc(-c2ccc(N(c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3cccc4oc5ccccc5c34)cc2)cc1.c1ccc(-n2c3ccccc3c3cc(N(c4ccc5c(c4)sc4ccccc45)c4cccc5oc6ccccc6c45)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(N(c4cccc5c4oc4ccccc45)c4cccc5oc6ccccc6c45)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(N(c4cccc5oc6ccccc6c45)c4cccc5sc6ccccc6c45)ccc32)cc1
InChIInChI=1S/C42H27FN2O.C42H26N2O2.2C42H26N2OS/c43-30-21-17-28(18-22-30)29-19-23-32(24-20-29)44(39-14-8-16-41-42(39)35-12-5-7-15-40(35)46-41)33-25-26-38-36(27-33)34-11-4-6-13-37(34)45(38)31-9-2-1-3-10-31;1-2-12-27(13-3-1)43-34-18-7-4-14-29(34)33-26-28(24-25-35(33)43)44(36-19-11-23-40-41(36)32-16-6-9-22-39(32)45-40)37-20-10-17-31-30-15-5-8-21-38(30)46-42(31)37;1-2-12-27(13-3-1)43-33-17-7-4-14-29(33)32-26-28(24-25-34(32)43)44(35-18-10-21-38-41(35)30-15-5-8-20-37(30)45-38)36-19-11-23-40-42(36)31-16-6-9-22-39(31)46-40;1-2-11-27(12-3-1)44-35-16-7-4-13-30(35)34-25-28(22-24-36(34)44)43(29-21-23-32-31-14-6-9-20-40(31)46-41(32)26-29)37-17-10-19-39-42(37)33-15-5-8-18-38(33)45-39/h1-27H;3*1-26H
InChIKeyZKJJLXOWUJWRDV-UHFFFAOYSA-N
MW2398.87 g/mol
LogP49.05
Rot. Bonds17

About N-dibenzofuran-1-yl-N-dibenzofuran-4-yl-9-phenylcarbazol-3-amine;N-dibenzofuran-1-yl-N-dibenzothiophen-1-yl-9-phenylcarbazol-3-amine;N-dibenzofuran-1-yl-N-dibenzothiophen-3-yl-9-phenylcarbazol-3-amine;N-dibenzofuran-1-yl-N-[4-(4-fluorophenyl)phenyl]-9-phenylcarbazol-3-amine

N-dibenzofuran-1-yl-N-dibenzofuran-4-yl-9-phenylcarbazol-3-amine;N-dibenzofuran-1-yl-N-dibenzothiophen-1-yl-9-phenylcarbazol-3-amine;N-dibenzofuran-1-yl-N-dibenzothiophen-3-yl-9-phenylcarbazol-3-amine;N-dibenzofuran-1-yl-N-[4-(4-fluorophenyl)phenyl]-9-phenylcarbazol-3-amine (PubChem CID 162144524) has the molecular formula C168H105FN8O5S2 and a molecular weight of 2398.87 g/mol. Its IUPAC name is N-dibenzofuran-1-yl-N-dibenzofuran-4-yl-9-phenylcarbazol-3-amine;N-dibenzofuran-1-yl-N-dibenzothiophen-1-yl-9-phenylcarbazol-3-amine;N-dibenzofuran-1-yl-N-dibenzothiophen-3-yl-9-phenylcarbazol-3-amine;N-dibenzofuran-1-yl-N-[4-(4-fluorophenyl)phenyl]-9-phenylcarbazol-3-amine.

Molecular Properties

Compound NameN-dibenzofuran-1-yl-N-dibenzofuran-4-yl-9-phenylcarbazol-3-amine;N-dibenzofuran-1-yl-N-dibenzothiophen-1-yl-9-phenylcarbazol-3-amine;N-dibenzofuran-1-yl-N-dibenzothiophen-3-yl-9-phenylcarbazol-3-amine;N-dibenzofuran-1-yl-N-[4-(4-fluorophenyl)phenyl]-9-phenylcarbazol-3-amine
PubChem CID162144524
Molecular FormulaC168H105FN8O5S2
Molecular Weight2398.87 g/mol
Exact Mass2396.76
IUPAC NameN-dibenzofuran-1-yl-N-dibenzofuran-4-yl-9-phenylcarbazol-3-amine;N-dibenzofuran-1-yl-N-dibenzothiophen-1-yl-9-phenylcarbazol-3-amine;N-dibenzofuran-1-yl-N-dibenzothiophen-3-yl-9-phenylcarbazol-3-amine;N-dibenzofuran-1-yl-N-[4-(4-fluorophenyl)phenyl]-9-phenylcarbazol-3-amine
SMILESFc1ccc(-c2ccc(N(c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3cccc4oc5ccccc5c34)cc2)cc1.c1ccc(-n2c3ccccc3c3cc(N(c4ccc5c(c4)sc4ccccc45)c4cccc5oc6ccccc6c45)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(N(c4cccc5c4oc4ccccc45)c4cccc5oc6ccccc6c45)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(N(c4cccc5oc6ccccc6c45)c4cccc5sc6ccccc6c45)ccc32)cc1
InChIInChI=1S/C42H27FN2O.C42H26N2O2.2C42H26N2OS/c43-30-21-17-28(18-22-30)29-19-23-32(24-20-29)44(39-14-8-16-41-42(39)35-12-5-7-15-40(35)46-41)33-25-26-38-36(27-33)34-11-4-6-13-37(34)45(38)31-9-2-1-3-10-31;1-2-12-27(13-3-1)43-34-18-7-4-14-29(34)33-26-28(24-25-35(33)43)44(36-19-11-23-40-41(36)32-16-6-9-22-39(32)45-40)37-20-10-17-31-30-15-5-8-21-38(30)46-42(31)37;1-2-12-27(13-3-1)43-33-17-7-4-14-29(33)32-26-28(24-25-34(32)43)44(35-18-10-21-38-41(35)30-15-5-8-20-37(30)45-38)36-19-11-23-40-42(36)31-16-6-9-22-39(31)46-40;1-2-11-27(12-3-1)44-35-16-7-4-13-30(35)34-25-28(22-24-36(34)44)43(29-21-23-32-31-14-6-9-20-40(31)46-41(32)26-29)37-17-10-19-39-42(37)33-15-5-8-18-38(33)45-39/h1-27H;3*1-26H
InChIKeyZKJJLXOWUJWRDV-UHFFFAOYSA-N
XLogP49.05
TPSA98.38 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds17
Heavy Atoms184
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002398.87
LogP ≤ 549.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze N-dibenzofuran-1-yl-N-dibenzofuran-4-yl-9-phenylcarbazol-3-amine;N-dibenzofuran-1-yl-N-dibenzothiophen-1-yl-9-phenylcarbazol-3-amine;N-dibenzofuran-1-yl-N-dibenzothiophen-3-yl-9-phenylcarbazol-3-amine;N-dibenzofuran-1-yl-N-[4-(4-fluorophenyl)phenyl]-9-phenylcarbazol-3-amine with MolForge

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Related Compounds

1-N-dibenzofuran-4-yl-3-N-dibenzothiophen-3-yl-1-N-phenyl-3-N-[2-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-1-yl]phenyl]benzene-1,3-diamine;3-N-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)-1-N,1-N-diphenyl-3-N-(4-phenylphenyl)benzene-1,3-diamine;1-N-dibenzothiophen-3-yl-1-N,3-N-diphenyl-3-N-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-1-yl]benzene-1,3-diamine;3-N-dibenzothiophen-2-yl-1-N,1-N-diphenyl-3-N-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-1-yl]benzene-1,3-diamine;1-N,1-N-diphenyl-3-N-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-1-yl]-3-N-(4-phenylphenyl)benzene-1,3-diamine;1-N,1-N,3-N-triphenyl-3-N-[8-(9-phenylcarbazol-3-yl)dibenzothiophen-2-yl]benzene-1,3-diamine
CID 159360188
N,N-di(dibenzothiophen-3-yl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine
CID 138577647
N-[4-[19-[4-(N-dibenzothiophen-2-ylanilino)phenyl]-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1(24),2,4(9),5,7,11,13,15(23),17(22),18,20-undecaen-7-yl]phenyl]-N-phenyldibenzothiophen-2-amine;6-N,20-N-di(dibenzofuran-4-yl)-6-N,20-N-diphenyl-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-6,20-diamine;6-N,20-N-di(dibenzothiophen-3-yl)-6-N,20-N-diphenyl-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-6,20-diamine;N-[4-(10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1(24),2,4(9),5,7,11,13,15(23),17,19,21-undecaen-7-yl)phenyl]-N,9-diphenylcarbazol-3-amine
CID 163670822
3-N-dibenzofuran-4-yl-1-N-dibenzothiophen-3-yl-1-N-phenyl-3-N-[8-(9-phenylcarbazol-2-yl)dibenzofuran-2-yl]benzene-1,3-diamine
CID 149109551
N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine;N-[3-(9-phenylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine;9-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine
CID 158890240
1-N-dibenzofuran-4-yl-3-N-dibenzothiophen-2-yl-3-N-(8-dibenzothiophen-2-yldibenzothiophen-4-yl)-1-N-phenylbenzene-1,3-diamine;3-N-(8-dibenzofuran-2-yldibenzothiophen-2-yl)-3-N-dibenzothiophen-2-yl-1-N,1-N-diphenylbenzene-1,3-diamine;3-N-dibenzothiophen-2-yl-3-N-(8-dibenzothiophen-2-yldibenzothiophen-1-yl)-1-N,1-N-diphenylbenzene-1,3-diamine;3-N-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)-1-N,1-N-diphenyl-3-N-(4-phenylphenyl)benzene-1,3-diamine;1-N,1-N,3-N-triphenyl-3-N-[8-(9-phenylcarbazol-3-yl)dibenzothiophen-2-yl]benzene-1,3-diamine
CID 160796602
N-dibenzothiophen-1-yl-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-3-amine
CID 168814386
6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N-diphenyl-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine;6-N,18-N-di(dibenzothiophen-2-yl)-6-N,18-N-diphenyl-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine;6-N,18-N-diphenyl-6-N,18-N-bis(9-phenylcarbazol-2-yl)-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine
CID 163713073
N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 159292400
N-dibenzofuran-4-yl-N-(4-dibenzoselenophen-2-ylphenyl)-9-phenylcarbazol-2-amine;N-(4-dibenzoselenophen-2-ylphenyl)-N-dibenzothiophen-1-yl-9-phenylcarbazol-2-amine;N-(4-dibenzoselenophen-2-ylphenyl)-N-dibenzothiophen-2-yl-9-phenylcarbazol-2-amine
CID 160575702
N-dibenzothiophen-1-yl-N-[4-(4-fluorophenyl)phenyl]dibenzofuran-4-amine
CID 163746061
N-dibenzofuran-1-yl-N-naphtho[2,1-b][1]benzothiol-2-yl-9-phenylcarbazol-3-amine
CID 170041496

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-1-yl-N-dibenzofuran-4-yl-9-phenylcarbazol-3-amine;N-dibenzofuran-1-yl-N-dibenzothiophen-1-yl-9-phenylcarbazol-3-amine;N-dibenzofuran-1-yl-N-dibenzothiophen-3-yl-9-phenylcarbazol-3-amine;N-dibenzofuran-1-yl-N-[4-(4-fluorophenyl)phenyl]-9-phenylcarbazol-3-amine?
The IUPAC name of N-dibenzofuran-1-yl-N-dibenzofuran-4-yl-9-phenylcarbazol-3-amine;N-dibenzofuran-1-yl-N-dibenzothiophen-1-yl-9-phenylcarbazol-3-amine;N-dibenzofuran-1-yl-N-dibenzothiophen-3-yl-9-phenylcarbazol-3-amine;N-dibenzofuran-1-yl-N-[4-(4-fluorophenyl)phenyl]-9-phenylcarbazol-3-amine (CID 162144524) is N-dibenzofuran-1-yl-N-dibenzofuran-4-yl-9-phenylcarbazol-3-amine;N-dibenzofuran-1-yl-N-dibenzothiophen-1-yl-9-phenylcarbazol-3-amine;N-dibenzofuran-1-yl-N-dibenzothiophen-3-yl-9-phenylcarbazol-3-amine;N-dibenzofuran-1-yl-N-[4-(4-fluorophenyl)phenyl]-9-phenylcarbazol-3-amine.
What is the SMILES notation for N-dibenzofuran-1-yl-N-dibenzofuran-4-yl-9-phenylcarbazol-3-amine;N-dibenzofuran-1-yl-N-dibenzothiophen-1-yl-9-phenylcarbazol-3-amine;N-dibenzofuran-1-yl-N-dibenzothiophen-3-yl-9-phenylcarbazol-3-amine;N-dibenzofuran-1-yl-N-[4-(4-fluorophenyl)phenyl]-9-phenylcarbazol-3-amine?
The canonical SMILES for N-dibenzofuran-1-yl-N-dibenzofuran-4-yl-9-phenylcarbazol-3-amine;N-dibenzofuran-1-yl-N-dibenzothiophen-1-yl-9-phenylcarbazol-3-amine;N-dibenzofuran-1-yl-N-dibenzothiophen-3-yl-9-phenylcarbazol-3-amine;N-dibenzofuran-1-yl-N-[4-(4-fluorophenyl)phenyl]-9-phenylcarbazol-3-amine is Fc1ccc(-c2ccc(N(c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3cccc4oc5ccccc5c34)cc2)cc1.c1ccc(-n2c3ccccc3c3cc(N(c4ccc5c(c4)sc4ccccc45)c4cccc5oc6ccccc6c45)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(N(c4cccc5c4oc4ccccc45)c4cccc5oc6ccccc6c45)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(N(c4cccc5oc6ccccc6c45)c4cccc5sc6ccccc6c45)ccc32)cc1.
What is the InChIKey of N-dibenzofuran-1-yl-N-dibenzofuran-4-yl-9-phenylcarbazol-3-amine;N-dibenzofuran-1-yl-N-dibenzothiophen-1-yl-9-phenylcarbazol-3-amine;N-dibenzofuran-1-yl-N-dibenzothiophen-3-yl-9-phenylcarbazol-3-amine;N-dibenzofuran-1-yl-N-[4-(4-fluorophenyl)phenyl]-9-phenylcarbazol-3-amine?
The InChIKey is ZKJJLXOWUJWRDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27FN2O.C42H26N2O2.2C42H26N2OS/c43-30-21-17-28(18-22-30)29-19-23-32(24-20-29)44(39-14-8-16-41-42(39)35-12-5-7-15-40(35)46-41)33-25-26-38-36(27-33)34-11-4-6-13-37(34)45(38)31-9-2-1-3-10-31;1-2-12-27(13-3-1)43-34-18-7-4-14-29(34)33-26-28(24-25-35(33)43)44(36-19-11-23-40-41(36)32-16-6-9-22-39(32)45-40)37-20-10-17-31-30-15-5-8-21-38(30)46-42(31)37;1-2-12-27(13-3-1)43-33-17-7-4-14-29(33)32-26-28(24-25-34(32)43)44(35-18-10-21-38-41(35)30-15-5-8-20-37(30)45-38)36-19-11-23-40-42(36)31-16-6-9-22-39(31)46-40;1-2-11-27(12-3-1)44-35-16-7-4-13-30(35)34-25-28(22-24-36(34)44)43(29-21-23-32-31-14-6-9-20-40(31)46-41(32)26-29)37-17-10-19-39-42(37)33-15-5-8-18-38(33)45-39/h1-27H;3*1-26H.
What are the key properties of N-dibenzofuran-1-yl-N-dibenzofuran-4-yl-9-phenylcarbazol-3-amine;N-dibenzofuran-1-yl-N-dibenzothiophen-1-yl-9-phenylcarbazol-3-amine;N-dibenzofuran-1-yl-N-dibenzothiophen-3-yl-9-phenylcarbazol-3-amine;N-dibenzofuran-1-yl-N-[4-(4-fluorophenyl)phenyl]-9-phenylcarbazol-3-amine?
N-dibenzofuran-1-yl-N-dibenzofuran-4-yl-9-phenylcarbazol-3-amine;N-dibenzofuran-1-yl-N-dibenzothiophen-1-yl-9-phenylcarbazol-3-amine;N-dibenzofuran-1-yl-N-dibenzothiophen-3-yl-9-phenylcarbazol-3-amine;N-dibenzofuran-1-yl-N-[4-(4-fluorophenyl)phenyl]-9-phenylcarbazol-3-amine has a molecular weight of 2398.87 g/mol, XLogP of 49.05, 17 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-1-yl-N-dibenzofuran-4-yl-9-phenylcarbazol-3-amine;N-dibenzofuran-1-yl-N-dibenzothiophen-1-yl-9-phenylcarbazol-3-amine;N-dibenzofuran-1-yl-N-dibenzothiophen-3-yl-9-phenylcarbazol-3-amine;N-dibenzofuran-1-yl-N-[4-(4-fluorophenyl)phenyl]-9-phenylcarbazol-3-amine is sourced from PubChem (CID 162144524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).