N-(9,9-dimethylfluoren-2-yl)-1-methyl-N-(4-naphthalen-2-ylphenyl)-2,3-diphenylphenanthro[9,10-b]pyrrol-6-amine

C60H44N2 — CID 134396601

IUPACN-(9,9-dimethylfluoren-2-yl)-1-methyl-N-(4-naphthalen-2-ylphenyl)-2,3-diphenylphenanthro[9,10-b]pyrrol-6-amine
SMILESCn1c(-c2ccccc2)c(-c2ccccc2)c2c3ccc(N(c4ccc(-c5ccc6ccccc6c5)cc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc3c3ccccc3c21
InChIInChI=1S/C60H44N2/c1-60(2)54-25-15-14-23-49(54)50-34-32-47(38-55(50)60)62(45-30-28-40(29-31-45)44-27-26-39-16-10-11-21-43(39)36-44)46-33-35-51-53(37-46)48-22-12-13-24-52(48)59-57(51)56(41-17-6-4-7-18-41)58(61(59)3)42-19-8-5-9-20-42/h4-38H,1-3H3
InChIKeyZWCQPUAVQIESDC-UHFFFAOYSA-N
MW793.03 g/mol
LogP16.42
Rot. Bonds6

About N-(9,9-dimethylfluoren-2-yl)-1-methyl-N-(4-naphthalen-2-ylphenyl)-2,3-diphenylphenanthro[9,10-b]pyrrol-6-amine

N-(9,9-dimethylfluoren-2-yl)-1-methyl-N-(4-naphthalen-2-ylphenyl)-2,3-diphenylphenanthro[9,10-b]pyrrol-6-amine (PubChem CID 134396601) has the molecular formula C60H44N2 and a molecular weight of 793.03 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-1-methyl-N-(4-naphthalen-2-ylphenyl)-2,3-diphenylphenanthro[9,10-b]pyrrol-6-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-1-methyl-N-(4-naphthalen-2-ylphenyl)-2,3-diphenylphenanthro[9,10-b]pyrrol-6-amine
PubChem CID134396601
Molecular FormulaC60H44N2
Molecular Weight793.03 g/mol
Exact Mass792.35
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-1-methyl-N-(4-naphthalen-2-ylphenyl)-2,3-diphenylphenanthro[9,10-b]pyrrol-6-amine
SMILESCn1c(-c2ccccc2)c(-c2ccccc2)c2c3ccc(N(c4ccc(-c5ccc6ccccc6c5)cc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc3c3ccccc3c21
InChIInChI=1S/C60H44N2/c1-60(2)54-25-15-14-23-49(54)50-34-32-47(38-55(50)60)62(45-30-28-40(29-31-45)44-27-26-39-16-10-11-21-43(39)36-44)46-33-35-51-53(37-46)48-22-12-13-24-52(48)59-57(51)56(41-17-6-4-7-18-41)58(61(59)3)42-19-8-5-9-20-42/h4-38H,1-3H3
InChIKeyZWCQPUAVQIESDC-UHFFFAOYSA-N
XLogP16.42
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500793.03
LogP ≤ 516.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

9,9-dimethyl-N-[4-(3-methyl-1,2-diphenylbenzo[e]indol-7-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 134395156
9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-[4-(1,2,3-triphenylbenzo[e]indol-7-yl)phenyl]fluoren-2-amine
CID 134395151
N-[4-[4-(1,2-diphenylphenanthro[9,10-b]pyrrol-3-yl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 121445484
9,9-dimethyl-2,7-dinaphthalen-2-ylfluorene;N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;1,8-diphenylphenanthrene
CID 162212406
N-(4-chrysen-2-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)fluoren-2-amine
CID 170675874
9,9-dimethyl-N-[4-(1-methyl-2,4,5-triphenylpyrrol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 121450570
N-[4-(5-fluoro-1-methyl-2-phenylbenzo[g]indol-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 134399215
9,9-dimethyl-N-[4-[4-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 166565824
N-(9,9-dimethylfluoren-2-yl)-N-(4-naphthalen-2-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]triphenylen-1-amine
CID 177294696
9,9-dimethyl-N-[4-(1-naphthalen-2-yl-2,3-diphenylbenzo[g]indol-6-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 58161662
N-[4-(6-fluoro-1,2-diphenylphenanthro[9,10-b]pyrrol-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 121445497
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]fluoren-2-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-[4-(N-(4-naphthalen-1-ylphenyl)-4-phenylanilino)phenyl]phenyl]-4-phenylaniline;N-(4-naphthalen-2-ylphenyl)-N-[4-[4-(N-(4-naphthalen-2-ylphenyl)-4-phenylanilino)phenyl]phenyl]-4-phenylaniline;N-[4-[4-(N-(4-naphthalen-1-ylphenyl)-4-phenylanilino)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-[4-(N-(4-naphthalen-2-ylphenyl)-4-phenylanilino)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 158189817

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-1-methyl-N-(4-naphthalen-2-ylphenyl)-2,3-diphenylphenanthro[9,10-b]pyrrol-6-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-1-methyl-N-(4-naphthalen-2-ylphenyl)-2,3-diphenylphenanthro[9,10-b]pyrrol-6-amine (CID 134396601) is N-(9,9-dimethylfluoren-2-yl)-1-methyl-N-(4-naphthalen-2-ylphenyl)-2,3-diphenylphenanthro[9,10-b]pyrrol-6-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-1-methyl-N-(4-naphthalen-2-ylphenyl)-2,3-diphenylphenanthro[9,10-b]pyrrol-6-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-1-methyl-N-(4-naphthalen-2-ylphenyl)-2,3-diphenylphenanthro[9,10-b]pyrrol-6-amine is Cn1c(-c2ccccc2)c(-c2ccccc2)c2c3ccc(N(c4ccc(-c5ccc6ccccc6c5)cc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc3c3ccccc3c21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-1-methyl-N-(4-naphthalen-2-ylphenyl)-2,3-diphenylphenanthro[9,10-b]pyrrol-6-amine?
The InChIKey is ZWCQPUAVQIESDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H44N2/c1-60(2)54-25-15-14-23-49(54)50-34-32-47(38-55(50)60)62(45-30-28-40(29-31-45)44-27-26-39-16-10-11-21-43(39)36-44)46-33-35-51-53(37-46)48-22-12-13-24-52(48)59-57(51)56(41-17-6-4-7-18-41)58(61(59)3)42-19-8-5-9-20-42/h4-38H,1-3H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-1-methyl-N-(4-naphthalen-2-ylphenyl)-2,3-diphenylphenanthro[9,10-b]pyrrol-6-amine?
N-(9,9-dimethylfluoren-2-yl)-1-methyl-N-(4-naphthalen-2-ylphenyl)-2,3-diphenylphenanthro[9,10-b]pyrrol-6-amine has a molecular weight of 793.03 g/mol, XLogP of 16.42, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-1-methyl-N-(4-naphthalen-2-ylphenyl)-2,3-diphenylphenanthro[9,10-b]pyrrol-6-amine is sourced from PubChem (CID 134396601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).