N-(11,11-dimethylbenzo[a]fluoren-9-yl)-N-(9,9,10,10-tetramethylphenanthren-2-yl)dibenzothiophen-3-amine;N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N-(9,9,10,10-tetramethylphenanthren-2-yl)benzo[a]fluoren-9-amine;11,11-dimethyl-N-phenyl-N-(9,9,10,10-tetramethylphenanthren-2-yl)benzo[a]fluoren-6-amine

C144H127N3S — CID 163449904

IUPACN-(11,11-dimethylbenzo[a]fluoren-9-yl)-N-(9,9,10,10-tetramethylphenanthren-2-yl)dibenzothiophen-3-amine;N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N-(9,9,10,10-tetramethylphenanthren-2-yl)benzo[a]fluoren-9-amine;11,11-dimethyl-N-phenyl-N-(9,9,10,10-tetramethylphenanthren-2-yl)benzo[a]fluoren-6-amine
SMILESCC1(C)c2cc(N(c3ccc4c(c3)C(C)(C)C(C)(C)c3ccccc3-4)c3ccc4c(c3)sc3ccccc34)ccc2-c2ccc3ccccc3c21.CC1(C)c2ccccc2-c2c(N(c3ccccc3)c3ccc4c(c3)C(C)(C)C(C)(C)c3ccccc3-4)cc3ccccc3c21.CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3c-4ccc4ccccc34)c3ccc4c(c3)C(C)(C)C(C)(C)c3ccccc3-4)cc21
InChIInChI=1S/C52H47N.C49H41NS.C43H39N/c1-49(2)43-19-13-11-17-37(43)39-26-22-33(29-45(39)49)53(35-23-27-40-38-18-12-14-20-44(38)51(5,6)52(7,8)47(40)31-35)34-24-28-41-42-25-21-32-15-9-10-16-36(32)48(42)50(3,4)46(41)30-34;1-47(2)42-27-31(21-25-37(42)40-23-19-30-13-7-8-14-34(30)46(40)47)50(33-22-26-39-38-16-10-12-18-44(38)51-45(39)29-33)32-20-24-36-35-15-9-11-17-41(35)48(3,4)49(5,6)43(36)28-32;1-41(2)35-22-14-13-21-34(35)39-38(26-28-16-10-11-19-31(28)40(39)41)44(29-17-8-7-9-18-29)30-24-25-33-32-20-12-15-23-36(32)42(3,4)43(5,6)37(33)27-30/h9-31H,1-8H3;7-29H,1-6H3;7-27H,1-6H3
InChIKeyBFSLPZJWRJOAFD-UHFFFAOYSA-N
MW1931.69 g/mol
LogP40.23
Rot. Bonds9

About N-(11,11-dimethylbenzo[a]fluoren-9-yl)-N-(9,9,10,10-tetramethylphenanthren-2-yl)dibenzothiophen-3-amine;N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N-(9,9,10,10-tetramethylphenanthren-2-yl)benzo[a]fluoren-9-amine;11,11-dimethyl-N-phenyl-N-(9,9,10,10-tetramethylphenanthren-2-yl)benzo[a]fluoren-6-amine

N-(11,11-dimethylbenzo[a]fluoren-9-yl)-N-(9,9,10,10-tetramethylphenanthren-2-yl)dibenzothiophen-3-amine;N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N-(9,9,10,10-tetramethylphenanthren-2-yl)benzo[a]fluoren-9-amine;11,11-dimethyl-N-phenyl-N-(9,9,10,10-tetramethylphenanthren-2-yl)benzo[a]fluoren-6-amine (PubChem CID 163449904) has the molecular formula C144H127N3S and a molecular weight of 1931.69 g/mol. Its IUPAC name is N-(11,11-dimethylbenzo[a]fluoren-9-yl)-N-(9,9,10,10-tetramethylphenanthren-2-yl)dibenzothiophen-3-amine;N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N-(9,9,10,10-tetramethylphenanthren-2-yl)benzo[a]fluoren-9-amine;11,11-dimethyl-N-phenyl-N-(9,9,10,10-tetramethylphenanthren-2-yl)benzo[a]fluoren-6-amine.

Molecular Properties

Compound NameN-(11,11-dimethylbenzo[a]fluoren-9-yl)-N-(9,9,10,10-tetramethylphenanthren-2-yl)dibenzothiophen-3-amine;N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N-(9,9,10,10-tetramethylphenanthren-2-yl)benzo[a]fluoren-9-amine;11,11-dimethyl-N-phenyl-N-(9,9,10,10-tetramethylphenanthren-2-yl)benzo[a]fluoren-6-amine
PubChem CID163449904
Molecular FormulaC144H127N3S
Molecular Weight1931.69 g/mol
Exact Mass1929.98
IUPAC NameN-(11,11-dimethylbenzo[a]fluoren-9-yl)-N-(9,9,10,10-tetramethylphenanthren-2-yl)dibenzothiophen-3-amine;N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N-(9,9,10,10-tetramethylphenanthren-2-yl)benzo[a]fluoren-9-amine;11,11-dimethyl-N-phenyl-N-(9,9,10,10-tetramethylphenanthren-2-yl)benzo[a]fluoren-6-amine
SMILESCC1(C)c2cc(N(c3ccc4c(c3)C(C)(C)C(C)(C)c3ccccc3-4)c3ccc4c(c3)sc3ccccc34)ccc2-c2ccc3ccccc3c21.CC1(C)c2ccccc2-c2c(N(c3ccccc3)c3ccc4c(c3)C(C)(C)C(C)(C)c3ccccc3-4)cc3ccccc3c21.CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3c-4ccc4ccccc34)c3ccc4c(c3)C(C)(C)C(C)(C)c3ccccc3-4)cc21
InChIInChI=1S/C52H47N.C49H41NS.C43H39N/c1-49(2)43-19-13-11-17-37(43)39-26-22-33(29-45(39)49)53(35-23-27-40-38-18-12-14-20-44(38)51(5,6)52(7,8)47(40)31-35)34-24-28-41-42-25-21-32-15-9-10-16-36(32)48(42)50(3,4)46(41)30-34;1-47(2)42-27-31(21-25-37(42)40-23-19-30-13-7-8-14-34(30)46(40)47)50(33-22-26-39-38-16-10-12-18-44(38)51-45(39)29-33)32-20-24-36-35-15-9-11-17-41(35)48(3,4)49(5,6)43(36)28-32;1-41(2)35-22-14-13-21-34(35)39-38(26-28-16-10-11-19-31(28)40(39)41)44(29-17-8-7-9-18-29)30-24-25-33-32-20-12-15-23-36(32)42(3,4)43(5,6)37(33)27-30/h9-31H,1-8H3;7-29H,1-6H3;7-27H,1-6H3
InChIKeyBFSLPZJWRJOAFD-UHFFFAOYSA-N
XLogP40.23
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms148
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001931.69
LogP ≤ 540.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(11,11-dimethylbenzo[a]fluoren-9-yl)-N-(9,9,10,10-tetramethylphenanthren-2-yl)dibenzothiophen-3-amine;N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N-(9,9,10,10-tetramethylphenanthren-2-yl)benzo[a]fluoren-9-amine;11,11-dimethyl-N-phenyl-N-(9,9,10,10-tetramethylphenanthren-2-yl)benzo[a]fluoren-6-amine with MolForge

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Related Compounds

N-(4-dibenzothiophen-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-11,11-dimethylbenzo[a]fluoren-6-amine
CID 164929149
11,11-dimethyl-N-naphthalen-2-yl-N-(9,9,10,10-tetramethylphenanthren-2-yl)benzo[a]fluoren-6-amine
CID 163620727
N-(11,11-dimethylbenzo[b]fluoren-2-yl)-N-(9,9,10,10-tetramethylphenanthren-2-yl)dibenzothiophen-3-amine
CID 163876739
N-(9,9-dimethylfluoren-2-yl)-10,10,11,11-tetramethyl-N-phenylpentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),5,7,13,15,17,19,21-decaen-7-amine;N-phenyl-N-(9,9,10,10-tetramethyl-6-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3(8),4,6,12,15,17,19,21-decaenyl)dibenzothiophen-2-amine;N-phenyl-N-(10,10,11,11-tetramethyl-7-pentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),5,7,13,15,17,19,21-decaenyl)dibenzothiophen-2-amine
CID 163907133
N-(4-dibenzothiophen-1-ylphenyl)-11,11-dimethyl-N-phenylbenzo[a]fluoren-6-amine
CID 164929371
N-[4-(11,11-dimethylbenzo[a]fluoren-6-yl)naphthalen-1-yl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 170412674
N-(11,11-dimethylbenzo[b]fluoren-9-yl)-N-phenyldibenzothiophen-3-amine
CID 156554191
N-(9,9-dimethylfluoren-3-yl)-N-(6-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)dibenzothiophen-3-amine
CID 177100291
N-(9,9-dimethylfluoren-2-yl)-N-(4-naphtho[2,1-b][1]benzothiol-1-ylphenyl)dibenzothiophen-3-amine
CID 168807446
N-(4-chrysen-6-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)dibenzothiophen-3-amine
CID 170675872
9,9-dimethyl-2-N,4-N,4-N-triphenyl-2-N-[3-[N-(10-thiapentacyclo[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)anilino]phenyl]fluorene-2,4-diamine
CID 171417071
N-(9,9-dimethylfluoren-2-yl)-N-phenylnaphtho[2,1-b][1]benzothiol-1-amine
CID 146295016

Frequently Asked Questions

What is the IUPAC name of N-(11,11-dimethylbenzo[a]fluoren-9-yl)-N-(9,9,10,10-tetramethylphenanthren-2-yl)dibenzothiophen-3-amine;N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N-(9,9,10,10-tetramethylphenanthren-2-yl)benzo[a]fluoren-9-amine;11,11-dimethyl-N-phenyl-N-(9,9,10,10-tetramethylphenanthren-2-yl)benzo[a]fluoren-6-amine?
The IUPAC name of N-(11,11-dimethylbenzo[a]fluoren-9-yl)-N-(9,9,10,10-tetramethylphenanthren-2-yl)dibenzothiophen-3-amine;N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N-(9,9,10,10-tetramethylphenanthren-2-yl)benzo[a]fluoren-9-amine;11,11-dimethyl-N-phenyl-N-(9,9,10,10-tetramethylphenanthren-2-yl)benzo[a]fluoren-6-amine (CID 163449904) is N-(11,11-dimethylbenzo[a]fluoren-9-yl)-N-(9,9,10,10-tetramethylphenanthren-2-yl)dibenzothiophen-3-amine;N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N-(9,9,10,10-tetramethylphenanthren-2-yl)benzo[a]fluoren-9-amine;11,11-dimethyl-N-phenyl-N-(9,9,10,10-tetramethylphenanthren-2-yl)benzo[a]fluoren-6-amine.
What is the SMILES notation for N-(11,11-dimethylbenzo[a]fluoren-9-yl)-N-(9,9,10,10-tetramethylphenanthren-2-yl)dibenzothiophen-3-amine;N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N-(9,9,10,10-tetramethylphenanthren-2-yl)benzo[a]fluoren-9-amine;11,11-dimethyl-N-phenyl-N-(9,9,10,10-tetramethylphenanthren-2-yl)benzo[a]fluoren-6-amine?
The canonical SMILES for N-(11,11-dimethylbenzo[a]fluoren-9-yl)-N-(9,9,10,10-tetramethylphenanthren-2-yl)dibenzothiophen-3-amine;N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N-(9,9,10,10-tetramethylphenanthren-2-yl)benzo[a]fluoren-9-amine;11,11-dimethyl-N-phenyl-N-(9,9,10,10-tetramethylphenanthren-2-yl)benzo[a]fluoren-6-amine is CC1(C)c2cc(N(c3ccc4c(c3)C(C)(C)C(C)(C)c3ccccc3-4)c3ccc4c(c3)sc3ccccc34)ccc2-c2ccc3ccccc3c21.CC1(C)c2ccccc2-c2c(N(c3ccccc3)c3ccc4c(c3)C(C)(C)C(C)(C)c3ccccc3-4)cc3ccccc3c21.CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3c-4ccc4ccccc34)c3ccc4c(c3)C(C)(C)C(C)(C)c3ccccc3-4)cc21.
What is the InChIKey of N-(11,11-dimethylbenzo[a]fluoren-9-yl)-N-(9,9,10,10-tetramethylphenanthren-2-yl)dibenzothiophen-3-amine;N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N-(9,9,10,10-tetramethylphenanthren-2-yl)benzo[a]fluoren-9-amine;11,11-dimethyl-N-phenyl-N-(9,9,10,10-tetramethylphenanthren-2-yl)benzo[a]fluoren-6-amine?
The InChIKey is BFSLPZJWRJOAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H47N.C49H41NS.C43H39N/c1-49(2)43-19-13-11-17-37(43)39-26-22-33(29-45(39)49)53(35-23-27-40-38-18-12-14-20-44(38)51(5,6)52(7,8)47(40)31-35)34-24-28-41-42-25-21-32-15-9-10-16-36(32)48(42)50(3,4)46(41)30-34;1-47(2)42-27-31(21-25-37(42)40-23-19-30-13-7-8-14-34(30)46(40)47)50(33-22-26-39-38-16-10-12-18-44(38)51-45(39)29-33)32-20-24-36-35-15-9-11-17-41(35)48(3,4)49(5,6)43(36)28-32;1-41(2)35-22-14-13-21-34(35)39-38(26-28-16-10-11-19-31(28)40(39)41)44(29-17-8-7-9-18-29)30-24-25-33-32-20-12-15-23-36(32)42(3,4)43(5,6)37(33)27-30/h9-31H,1-8H3;7-29H,1-6H3;7-27H,1-6H3.
What are the key properties of N-(11,11-dimethylbenzo[a]fluoren-9-yl)-N-(9,9,10,10-tetramethylphenanthren-2-yl)dibenzothiophen-3-amine;N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N-(9,9,10,10-tetramethylphenanthren-2-yl)benzo[a]fluoren-9-amine;11,11-dimethyl-N-phenyl-N-(9,9,10,10-tetramethylphenanthren-2-yl)benzo[a]fluoren-6-amine?
N-(11,11-dimethylbenzo[a]fluoren-9-yl)-N-(9,9,10,10-tetramethylphenanthren-2-yl)dibenzothiophen-3-amine;N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N-(9,9,10,10-tetramethylphenanthren-2-yl)benzo[a]fluoren-9-amine;11,11-dimethyl-N-phenyl-N-(9,9,10,10-tetramethylphenanthren-2-yl)benzo[a]fluoren-6-amine has a molecular weight of 1931.69 g/mol, XLogP of 40.23, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(11,11-dimethylbenzo[a]fluoren-9-yl)-N-(9,9,10,10-tetramethylphenanthren-2-yl)dibenzothiophen-3-amine;N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N-(9,9,10,10-tetramethylphenanthren-2-yl)benzo[a]fluoren-9-amine;11,11-dimethyl-N-phenyl-N-(9,9,10,10-tetramethylphenanthren-2-yl)benzo[a]fluoren-6-amine is sourced from PubChem (CID 163449904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).