N-[4-[9-(11,11-dimethylbenzo[b]fluoren-2-yl)fluoren-9-yl]phenyl]-9,9-dimethyl-N-(3-methylcyclohexa-1,5-dien-1-yl)fluoren-2-amine

C60H49N — CID 163446399

IUPACN-[4-[9-(11,11-dimethylbenzo[b]fluoren-2-yl)fluoren-9-yl]phenyl]-9,9-dimethyl-N-(3-methylcyclohexa-1,5-dien-1-yl)fluoren-2-amine
SMILESCC1C=C(N(c2ccc(C3(c4ccc5c(c4)C(C)(C)c4cc6ccccc6cc4-5)c4ccccc4-c4ccccc43)cc2)c2ccc3c(c2)C(C)(C)c2ccccc2-3)C=CC1
InChIInChI=1S/C60H49N/c1-38-15-14-18-44(33-38)61(45-30-32-49-46-19-8-11-22-52(46)58(2,3)57(49)37-45)43-28-25-41(26-29-43)60(53-23-12-9-20-47(53)48-21-10-13-24-54(48)60)42-27-31-50-51-34-39-16-6-7-17-40(39)35-55(51)59(4,5)56(50)36-42/h6-14,16-38H,15H2,1-5H3
InChIKeyBCWWLZLKDXVOPF-UHFFFAOYSA-N
MW784.06 g/mol
LogP15.43
Rot. Bonds5

About N-[4-[9-(11,11-dimethylbenzo[b]fluoren-2-yl)fluoren-9-yl]phenyl]-9,9-dimethyl-N-(3-methylcyclohexa-1,5-dien-1-yl)fluoren-2-amine

N-[4-[9-(11,11-dimethylbenzo[b]fluoren-2-yl)fluoren-9-yl]phenyl]-9,9-dimethyl-N-(3-methylcyclohexa-1,5-dien-1-yl)fluoren-2-amine (PubChem CID 163446399) has the molecular formula C60H49N and a molecular weight of 784.06 g/mol. Its IUPAC name is N-[4-[9-(11,11-dimethylbenzo[b]fluoren-2-yl)fluoren-9-yl]phenyl]-9,9-dimethyl-N-(3-methylcyclohexa-1,5-dien-1-yl)fluoren-2-amine.

Molecular Properties

Compound NameN-[4-[9-(11,11-dimethylbenzo[b]fluoren-2-yl)fluoren-9-yl]phenyl]-9,9-dimethyl-N-(3-methylcyclohexa-1,5-dien-1-yl)fluoren-2-amine
PubChem CID163446399
Molecular FormulaC60H49N
Molecular Weight784.06 g/mol
Exact Mass783.39
IUPAC NameN-[4-[9-(11,11-dimethylbenzo[b]fluoren-2-yl)fluoren-9-yl]phenyl]-9,9-dimethyl-N-(3-methylcyclohexa-1,5-dien-1-yl)fluoren-2-amine
SMILESCC1C=C(N(c2ccc(C3(c4ccc5c(c4)C(C)(C)c4cc6ccccc6cc4-5)c4ccccc4-c4ccccc43)cc2)c2ccc3c(c2)C(C)(C)c2ccccc2-3)C=CC1
InChIInChI=1S/C60H49N/c1-38-15-14-18-44(33-38)61(45-30-32-49-46-19-8-11-22-52(46)58(2,3)57(49)37-45)43-28-25-41(26-29-43)60(53-23-12-9-20-47(53)48-21-10-13-24-54(48)60)42-27-31-50-51-34-39-16-6-7-17-40(39)35-55(51)59(4,5)56(50)36-42/h6-14,16-38H,15H2,1-5H3
InChIKeyBCWWLZLKDXVOPF-UHFFFAOYSA-N
XLogP15.43
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500784.06
LogP ≤ 515.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-[4-[9-(11,11-dimethylbenzo[b]fluoren-2-yl)fluoren-9-yl]phenyl]-9,9-dimethyl-N-(3-methylcyclohexa-1,5-dien-1-yl)fluoren-2-amine with MolForge

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Related Compounds

11-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,N,11-triphenylbenzo[b]fluoren-2-amine
CID 118145932
N-[4-[9-(9,9-diphenylfluoren-2-yl)fluoren-9-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 118004652
N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-(4-phenylphenyl)benzo[b]fluoren-2-amine
CID 138601435
2-N-(3-methylcyclohexa-1,5-dien-1-yl)-2-N,4-N,4-N,9-tetraphenyl-9-[3-(7-phenylbenzo[c]fluoren-7-yl)phenyl]fluorene-2,4-diamine
CID 118204330
1-N-[4-[(3-methylcyclohexa-1,5-dien-1-yl)-naphthalen-2-ylamino]phenyl]-4-N-naphthalen-2-yl-1-N-[4-(N-naphthalen-2-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine
CID 166657814
N-(3-methylcyclohexa-1,5-dien-1-yl)-9,9-diphenyl-N-[3-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine
CID 145232530
9,9-dimethyl-N-[4-(4-naphthalen-2-ylphenyl)-3-phenylphenyl]-N-(4-phenylphenyl)fluoren-2-amine;N-(3,4-diphenylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;9,9-diphenyl-N-(4-phenylphenyl)-N-[3-phenyl-4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 159227060
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[benzo[b]fluorene-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-amine
CID 130462474
N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]spiro[benzo[b]fluorene-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-amine
CID 130462501
N-[4-(11-dibenzofuran-4-ylbenzo[b]fluoren-11-yl)phenyl]-4-naphthalen-2-yl-N-phenylaniline;N-[4-[9-(9,9-dimethylfluoren-2-yl)fluoren-9-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;N-[4-[9-(9,9-dimethylfluoren-2-yl)fluoren-9-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 158241809
N-[4-[9-[4-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]fluoren-9-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 90274459
N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N-phenylbenzo[b]fluoren-7-amine
CID 156554324

Frequently Asked Questions

What is the IUPAC name of N-[4-[9-(11,11-dimethylbenzo[b]fluoren-2-yl)fluoren-9-yl]phenyl]-9,9-dimethyl-N-(3-methylcyclohexa-1,5-dien-1-yl)fluoren-2-amine?
The IUPAC name of N-[4-[9-(11,11-dimethylbenzo[b]fluoren-2-yl)fluoren-9-yl]phenyl]-9,9-dimethyl-N-(3-methylcyclohexa-1,5-dien-1-yl)fluoren-2-amine (CID 163446399) is N-[4-[9-(11,11-dimethylbenzo[b]fluoren-2-yl)fluoren-9-yl]phenyl]-9,9-dimethyl-N-(3-methylcyclohexa-1,5-dien-1-yl)fluoren-2-amine.
What is the SMILES notation for N-[4-[9-(11,11-dimethylbenzo[b]fluoren-2-yl)fluoren-9-yl]phenyl]-9,9-dimethyl-N-(3-methylcyclohexa-1,5-dien-1-yl)fluoren-2-amine?
The canonical SMILES for N-[4-[9-(11,11-dimethylbenzo[b]fluoren-2-yl)fluoren-9-yl]phenyl]-9,9-dimethyl-N-(3-methylcyclohexa-1,5-dien-1-yl)fluoren-2-amine is CC1C=C(N(c2ccc(C3(c4ccc5c(c4)C(C)(C)c4cc6ccccc6cc4-5)c4ccccc4-c4ccccc43)cc2)c2ccc3c(c2)C(C)(C)c2ccccc2-3)C=CC1.
What is the InChIKey of N-[4-[9-(11,11-dimethylbenzo[b]fluoren-2-yl)fluoren-9-yl]phenyl]-9,9-dimethyl-N-(3-methylcyclohexa-1,5-dien-1-yl)fluoren-2-amine?
The InChIKey is BCWWLZLKDXVOPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H49N/c1-38-15-14-18-44(33-38)61(45-30-32-49-46-19-8-11-22-52(46)58(2,3)57(49)37-45)43-28-25-41(26-29-43)60(53-23-12-9-20-47(53)48-21-10-13-24-54(48)60)42-27-31-50-51-34-39-16-6-7-17-40(39)35-55(51)59(4,5)56(50)36-42/h6-14,16-38H,15H2,1-5H3.
What are the key properties of N-[4-[9-(11,11-dimethylbenzo[b]fluoren-2-yl)fluoren-9-yl]phenyl]-9,9-dimethyl-N-(3-methylcyclohexa-1,5-dien-1-yl)fluoren-2-amine?
N-[4-[9-(11,11-dimethylbenzo[b]fluoren-2-yl)fluoren-9-yl]phenyl]-9,9-dimethyl-N-(3-methylcyclohexa-1,5-dien-1-yl)fluoren-2-amine has a molecular weight of 784.06 g/mol, XLogP of 15.43, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[9-(11,11-dimethylbenzo[b]fluoren-2-yl)fluoren-9-yl]phenyl]-9,9-dimethyl-N-(3-methylcyclohexa-1,5-dien-1-yl)fluoren-2-amine is sourced from PubChem (CID 163446399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).