9-methyl-N-(9-methyl-7,7-diphenylbenzo[c]fluoren-5-yl)-N-phenylcarbazol-4-amine;toluene;1,2-xylene

C64H54N2 — CID 144614546

IUPAC9-methyl-N-(9-methyl-7,7-diphenylbenzo[c]fluoren-5-yl)-N-phenylcarbazol-4-amine;toluene;1,2-xylene
SMILESCc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(N(c3ccccc3)c3cccc4c3c3ccccc3n4C)c3ccccc3c1-2.Cc1ccccc1.Cc1ccccc1C
InChIInChI=1S/C49H36N2.C8H10.C7H8/c1-33-29-30-39-41(31-33)49(34-17-6-3-7-18-34,35-19-8-4-9-20-35)42-32-46(37-23-12-13-24-38(37)47(39)42)51(36-21-10-5-11-22-36)45-28-16-27-44-48(45)40-25-14-15-26-43(40)50(44)2;1-7-5-3-4-6-8(7)2;1-7-5-3-2-4-6-7/h3-32H,1-2H3;3-6H,1-2H3;2-6H,1H3
InChIKeyQHWXHTNCMOOCOZ-UHFFFAOYSA-N
MW851.15 g/mol
LogP16.92
Rot. Bonds5

About 9-methyl-N-(9-methyl-7,7-diphenylbenzo[c]fluoren-5-yl)-N-phenylcarbazol-4-amine;toluene;1,2-xylene

9-methyl-N-(9-methyl-7,7-diphenylbenzo[c]fluoren-5-yl)-N-phenylcarbazol-4-amine;toluene;1,2-xylene (PubChem CID 144614546) has the molecular formula C64H54N2 and a molecular weight of 851.15 g/mol. Its IUPAC name is 9-methyl-N-(9-methyl-7,7-diphenylbenzo[c]fluoren-5-yl)-N-phenylcarbazol-4-amine;toluene;1,2-xylene.

Molecular Properties

Compound Name9-methyl-N-(9-methyl-7,7-diphenylbenzo[c]fluoren-5-yl)-N-phenylcarbazol-4-amine;toluene;1,2-xylene
PubChem CID144614546
Molecular FormulaC64H54N2
Molecular Weight851.15 g/mol
Exact Mass850.43
IUPAC Name9-methyl-N-(9-methyl-7,7-diphenylbenzo[c]fluoren-5-yl)-N-phenylcarbazol-4-amine;toluene;1,2-xylene
SMILESCc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(N(c3ccccc3)c3cccc4c3c3ccccc3n4C)c3ccccc3c1-2.Cc1ccccc1.Cc1ccccc1C
InChIInChI=1S/C49H36N2.C8H10.C7H8/c1-33-29-30-39-41(31-33)49(34-17-6-3-7-18-34,35-19-8-4-9-20-35)42-32-46(37-23-12-13-24-38(37)47(39)42)51(36-21-10-5-11-22-36)45-28-16-27-44-48(45)40-25-14-15-26-43(40)50(44)2;1-7-5-3-4-6-8(7)2;1-7-5-3-2-4-6-7/h3-32H,1-2H3;3-6H,1-2H3;2-6H,1H3
InChIKeyQHWXHTNCMOOCOZ-UHFFFAOYSA-N
XLogP16.92
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500851.15
LogP ≤ 516.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-dimethylphosphanylphenyl)-9-methyl-N-(4-methylphenyl)-7,7-diphenylbenzo[c]fluoren-5-amine
CID 144614658
N-(3,4-dimethylphenyl)-N-(9-methyl-7,7-diphenylbenzo[c]fluoren-5-yl)dibenzofuran-4-amine
CID 144614268
N-dibenzothiophen-4-yl-9-ethyl-N-(9-methyl-7,7-diphenylbenzo[c]fluoren-5-yl)carbazol-2-amine
CID 144613701
5-N,9-N-bis(3-methylphenyl)-5-N,9-N-bis(naphtho[2,1-b][1]benzofuran-8-yl)-7,7-diphenylbenzo[c]fluorene-5,9-diamine
CID 126550480
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
9-N-[4-(ethylamino)phenyl]-5-N,9-N-bis(4-methylphenyl)-7,7-diphenyl-5-N-[4-(trimethyl-λ4-sulfanyl)phenyl]benzo[c]fluorene-5,9-diamine
CID 170242982
3-[dibenzothiophen-4-yl-(9-methyl-7,7-diphenylbenzo[c]fluoren-5-yl)amino]benzonitrile
CID 144614681
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
3,10-bis(2,4-dimethylphenyl)-N,N,24,24-tetraphenylheptacyclo[14.10.1.02,11.04,9.012,27.017,25.018,23]heptacosa-1(26),2,4,6,8,10,12,14,16(27),17(25),18(23),19,21-tridecaen-21-amine
CID 154939134
3-[(1Z)-buta-1,3-dienyl]-1,2,4-trimethylindole;2,5-dimethylbenzonitrile;3,9-dimethyl-5-(N-(9-methylcarbazol-4-yl)anilino)-7,7-dipropylbenzo[c]fluorene-2-carbonitrile;ethane
CID 144614737
5-N-(6H-benzo[c]chromen-3-yl)-7,7-bis(3-methylphenyl)-5-N,9-N,9-N-triphenylbenzo[c]fluorene-5,9-diamine
CID 144614567
9-N,15-N-di(dibenzofuran-1-yl)-9-N,15-N,12,12-tetraphenylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine
CID 90140171

Frequently Asked Questions

What is the IUPAC name of 9-methyl-N-(9-methyl-7,7-diphenylbenzo[c]fluoren-5-yl)-N-phenylcarbazol-4-amine;toluene;1,2-xylene?
The IUPAC name of 9-methyl-N-(9-methyl-7,7-diphenylbenzo[c]fluoren-5-yl)-N-phenylcarbazol-4-amine;toluene;1,2-xylene (CID 144614546) is 9-methyl-N-(9-methyl-7,7-diphenylbenzo[c]fluoren-5-yl)-N-phenylcarbazol-4-amine;toluene;1,2-xylene.
What is the SMILES notation for 9-methyl-N-(9-methyl-7,7-diphenylbenzo[c]fluoren-5-yl)-N-phenylcarbazol-4-amine;toluene;1,2-xylene?
The canonical SMILES for 9-methyl-N-(9-methyl-7,7-diphenylbenzo[c]fluoren-5-yl)-N-phenylcarbazol-4-amine;toluene;1,2-xylene is Cc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(N(c3ccccc3)c3cccc4c3c3ccccc3n4C)c3ccccc3c1-2.Cc1ccccc1.Cc1ccccc1C.
What is the InChIKey of 9-methyl-N-(9-methyl-7,7-diphenylbenzo[c]fluoren-5-yl)-N-phenylcarbazol-4-amine;toluene;1,2-xylene?
The InChIKey is QHWXHTNCMOOCOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H36N2.C8H10.C7H8/c1-33-29-30-39-41(31-33)49(34-17-6-3-7-18-34,35-19-8-4-9-20-35)42-32-46(37-23-12-13-24-38(37)47(39)42)51(36-21-10-5-11-22-36)45-28-16-27-44-48(45)40-25-14-15-26-43(40)50(44)2;1-7-5-3-4-6-8(7)2;1-7-5-3-2-4-6-7/h3-32H,1-2H3;3-6H,1-2H3;2-6H,1H3.
What are the key properties of 9-methyl-N-(9-methyl-7,7-diphenylbenzo[c]fluoren-5-yl)-N-phenylcarbazol-4-amine;toluene;1,2-xylene?
9-methyl-N-(9-methyl-7,7-diphenylbenzo[c]fluoren-5-yl)-N-phenylcarbazol-4-amine;toluene;1,2-xylene has a molecular weight of 851.15 g/mol, XLogP of 16.92, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-N-(9-methyl-7,7-diphenylbenzo[c]fluoren-5-yl)-N-phenylcarbazol-4-amine;toluene;1,2-xylene is sourced from PubChem (CID 144614546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).