5-N-(3,4-dimethylphenyl)-7,7-dimethyl-9-N-(9-methylcarbazol-1-yl)-5-N-(3-methylphenyl)-9-N-(10-methyl-6-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)benzo[c]fluorene-5,9-diamine

C63H55N3 — CID 90128734

IUPAC5-N-(3,4-dimethylphenyl)-7,7-dimethyl-9-N-(9-methylcarbazol-1-yl)-5-N-(3-methylphenyl)-9-N-(10-methyl-6-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)benzo[c]fluorene-5,9-diamine
SMILESCc1cccc(N(c2ccc(C)c(C)c2)c2cc3c(c4ccccc24)-c2ccc(N(c4cccc5c4CCC(C)c4ccccc4-5)c4cccc5c6ccccc6n(C)c45)cc2C3(C)C)c1
InChIInChI=1S/C63H55N3/c1-39-17-14-18-43(35-39)65(44-31-29-40(2)42(4)36-44)60-38-56-61(52-23-11-10-21-49(52)60)54-34-32-45(37-55(54)63(56,5)6)66(59-28-16-25-53-50-22-12-13-26-57(50)64(7)62(53)59)58-27-15-24-48-47-20-9-8-19-46(47)41(3)30-33-51(48)58/h8-29,31-32,34-38,41H,30,33H2,1-7H3
InChIKeyZHITYYUWWUHLNE-UHFFFAOYSA-N
MW854.15 g/mol
LogP17.37
Rot. Bonds6

About 5-N-(3,4-dimethylphenyl)-7,7-dimethyl-9-N-(9-methylcarbazol-1-yl)-5-N-(3-methylphenyl)-9-N-(10-methyl-6-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)benzo[c]fluorene-5,9-diamine

5-N-(3,4-dimethylphenyl)-7,7-dimethyl-9-N-(9-methylcarbazol-1-yl)-5-N-(3-methylphenyl)-9-N-(10-methyl-6-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)benzo[c]fluorene-5,9-diamine (PubChem CID 90128734) has the molecular formula C63H55N3 and a molecular weight of 854.15 g/mol. Its IUPAC name is 5-N-(3,4-dimethylphenyl)-7,7-dimethyl-9-N-(9-methylcarbazol-1-yl)-5-N-(3-methylphenyl)-9-N-(10-methyl-6-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)benzo[c]fluorene-5,9-diamine.

Molecular Properties

Compound Name5-N-(3,4-dimethylphenyl)-7,7-dimethyl-9-N-(9-methylcarbazol-1-yl)-5-N-(3-methylphenyl)-9-N-(10-methyl-6-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)benzo[c]fluorene-5,9-diamine
PubChem CID90128734
Molecular FormulaC63H55N3
Molecular Weight854.15 g/mol
Exact Mass853.44
IUPAC Name5-N-(3,4-dimethylphenyl)-7,7-dimethyl-9-N-(9-methylcarbazol-1-yl)-5-N-(3-methylphenyl)-9-N-(10-methyl-6-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)benzo[c]fluorene-5,9-diamine
SMILESCc1cccc(N(c2ccc(C)c(C)c2)c2cc3c(c4ccccc24)-c2ccc(N(c4cccc5c4CCC(C)c4ccccc4-5)c4cccc5c6ccccc6n(C)c45)cc2C3(C)C)c1
InChIInChI=1S/C63H55N3/c1-39-17-14-18-43(35-39)65(44-31-29-40(2)42(4)36-44)60-38-56-61(52-23-11-10-21-49(52)60)54-34-32-45(37-55(54)63(56,5)6)66(59-28-16-25-53-50-22-12-13-26-57(50)64(7)62(53)59)58-27-15-24-48-47-20-9-8-19-46(47)41(3)30-33-51(48)58/h8-29,31-32,34-38,41H,30,33H2,1-7H3
InChIKeyZHITYYUWWUHLNE-UHFFFAOYSA-N
XLogP17.37
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500854.15
LogP ≤ 517.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-N-(3,4-dimethylphenyl)-7,7-dimethyl-9-N-(9-methylcarbazol-1-yl)-5-N-(3-methylphenyl)-9-N-(10-methyl-6-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)benzo[c]fluorene-5,9-diamine with MolForge

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Related Compounds

N-dibenzothiophen-1-yl-9-methyl-N-(7,7,9-trimethylbenzo[c]fluoren-5-yl)carbazol-3-amine;9-ethyl-3-methyl-9H-fluorene;toluene
CID 144614559
5-N-dibenzofuran-1-yl-7,7-dimethyl-9-N-(3-methylphenyl)-5-N,9-N-diphenylbenzo[c]fluorene-5,9-diamine
CID 90128722
9-N,19-N-bis(9,9-dimethylfluoren-2-yl)-9-N,19-N-bis(2,5-dimethylphenyl)-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene-9,19-diamine
CID 171449691
5-N-dibenzothiophen-1-yl-7,7-dimethyl-9-N-(9-methylidenefluoren-4-yl)-9-N-(2-methylphenyl)-5-N-(3-methylphenyl)benzo[c]fluorene-5,9-diamine
CID 163978986
N-[7,7-dimethyl-9-(2,4,6-trimethylphenyl)benzo[c]fluoren-5-yl]-N,9-diphenylcarbazol-3-amine
CID 90129053
5-N-(9,10-didehydrophenanthren-1-yl)-7,7-dimethyl-9-N-(2-methylphenyl)-5-N,9-N-diphenylbenzo[c]fluorene-5,9-diamine
CID 90128670
9-N-(2-fluorophenyl)-7,7-dimethyl-5-N-[3-methyl-4-(2-methylphenyl)phenyl]-5-N,9-N-diphenylbenzo[c]fluorene-5,9-diamine
CID 144613209
N-(9-benzyl-7,7-dimethylbenzo[c]fluoren-5-yl)-9-methyl-N-phenylcarbazol-3-amine
CID 90129003
9-methyl-N-(9-methyl-7,7-diphenylbenzo[c]fluoren-5-yl)-N-phenylcarbazol-4-amine;toluene;1,2-xylene
CID 144614546
2,4-dimethyl-1-(2-methylphenyl)benzene;1,2-dimethyl-4-phenylbenzene;ethane;7,7,9-trimethyl-N-[3-methyl-4-(2-methylphenyl)phenyl]-N-(2-methyl-5-phenylphenyl)benzo[c]fluoren-5-amine
CID 144614134
2,9-diethyl-9H-fluorene;ethane;2-methyldibenzothiophene;7,7,9-trimethyl-N,N-bis(3-methylphenyl)benzo[c]fluoren-5-amine
CID 144614565
N-dibenzofuran-1-yl-9-methyl-N-(7,7,9-trimethylbenzo[c]fluoren-5-yl)carbazol-3-amine;ethane;1-fluoro-2-methylbenzene;1-methyl-4-phenylbenzene
CID 144614329

Frequently Asked Questions

What is the IUPAC name of 5-N-(3,4-dimethylphenyl)-7,7-dimethyl-9-N-(9-methylcarbazol-1-yl)-5-N-(3-methylphenyl)-9-N-(10-methyl-6-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)benzo[c]fluorene-5,9-diamine?
The IUPAC name of 5-N-(3,4-dimethylphenyl)-7,7-dimethyl-9-N-(9-methylcarbazol-1-yl)-5-N-(3-methylphenyl)-9-N-(10-methyl-6-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)benzo[c]fluorene-5,9-diamine (CID 90128734) is 5-N-(3,4-dimethylphenyl)-7,7-dimethyl-9-N-(9-methylcarbazol-1-yl)-5-N-(3-methylphenyl)-9-N-(10-methyl-6-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)benzo[c]fluorene-5,9-diamine.
What is the SMILES notation for 5-N-(3,4-dimethylphenyl)-7,7-dimethyl-9-N-(9-methylcarbazol-1-yl)-5-N-(3-methylphenyl)-9-N-(10-methyl-6-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)benzo[c]fluorene-5,9-diamine?
The canonical SMILES for 5-N-(3,4-dimethylphenyl)-7,7-dimethyl-9-N-(9-methylcarbazol-1-yl)-5-N-(3-methylphenyl)-9-N-(10-methyl-6-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)benzo[c]fluorene-5,9-diamine is Cc1cccc(N(c2ccc(C)c(C)c2)c2cc3c(c4ccccc24)-c2ccc(N(c4cccc5c4CCC(C)c4ccccc4-5)c4cccc5c6ccccc6n(C)c45)cc2C3(C)C)c1.
What is the InChIKey of 5-N-(3,4-dimethylphenyl)-7,7-dimethyl-9-N-(9-methylcarbazol-1-yl)-5-N-(3-methylphenyl)-9-N-(10-methyl-6-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)benzo[c]fluorene-5,9-diamine?
The InChIKey is ZHITYYUWWUHLNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H55N3/c1-39-17-14-18-43(35-39)65(44-31-29-40(2)42(4)36-44)60-38-56-61(52-23-11-10-21-49(52)60)54-34-32-45(37-55(54)63(56,5)6)66(59-28-16-25-53-50-22-12-13-26-57(50)64(7)62(53)59)58-27-15-24-48-47-20-9-8-19-46(47)41(3)30-33-51(48)58/h8-29,31-32,34-38,41H,30,33H2,1-7H3.
What are the key properties of 5-N-(3,4-dimethylphenyl)-7,7-dimethyl-9-N-(9-methylcarbazol-1-yl)-5-N-(3-methylphenyl)-9-N-(10-methyl-6-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)benzo[c]fluorene-5,9-diamine?
5-N-(3,4-dimethylphenyl)-7,7-dimethyl-9-N-(9-methylcarbazol-1-yl)-5-N-(3-methylphenyl)-9-N-(10-methyl-6-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)benzo[c]fluorene-5,9-diamine has a molecular weight of 854.15 g/mol, XLogP of 17.37, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(3,4-dimethylphenyl)-7,7-dimethyl-9-N-(9-methylcarbazol-1-yl)-5-N-(3-methylphenyl)-9-N-(10-methyl-6-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)benzo[c]fluorene-5,9-diamine is sourced from PubChem (CID 90128734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).