N-(9,9-dimethylfluoren-2-yl)-N-(4-naphthalen-2-ylphenyl)benzo[c]phenanthren-5-amine

C49H35N — CID 167184455

IUPACN-(9,9-dimethylfluoren-2-yl)-N-(4-naphthalen-2-ylphenyl)benzo[c]phenanthren-5-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3cc4ccc5ccccc5c4c4ccccc34)cc21
InChIInChI=1S/C49H35N/c1-49(2)45-18-10-9-15-41(45)42-28-27-39(31-46(42)49)50(38-25-23-33(24-26-38)36-21-19-32-11-3-4-13-35(32)29-36)47-30-37-22-20-34-12-5-6-14-40(34)48(37)44-17-8-7-16-43(44)47/h3-31H,1-2H3
InChIKeyXALQTPUZXCQHHQ-UHFFFAOYSA-N
MW637.83 g/mol
LogP13.74
Rot. Bonds4

About N-(9,9-dimethylfluoren-2-yl)-N-(4-naphthalen-2-ylphenyl)benzo[c]phenanthren-5-amine

N-(9,9-dimethylfluoren-2-yl)-N-(4-naphthalen-2-ylphenyl)benzo[c]phenanthren-5-amine (PubChem CID 167184455) has the molecular formula C49H35N and a molecular weight of 637.83 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-(4-naphthalen-2-ylphenyl)benzo[c]phenanthren-5-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-N-(4-naphthalen-2-ylphenyl)benzo[c]phenanthren-5-amine
PubChem CID167184455
Molecular FormulaC49H35N
Molecular Weight637.83 g/mol
Exact Mass637.28
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-N-(4-naphthalen-2-ylphenyl)benzo[c]phenanthren-5-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3cc4ccc5ccccc5c4c4ccccc34)cc21
InChIInChI=1S/C49H35N/c1-49(2)45-18-10-9-15-41(45)42-28-27-39(31-46(42)49)50(38-25-23-33(24-26-38)36-21-19-32-11-3-4-13-35(32)29-36)47-30-37-22-20-34-12-5-6-14-40(34)48(37)44-17-8-7-16-43(44)47/h3-31H,1-2H3
InChIKeyXALQTPUZXCQHHQ-UHFFFAOYSA-N
XLogP13.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.83
LogP ≤ 513.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)phenanthren-9-amine
CID 134464885
N-(9,9-dimethylfluoren-2-yl)-N-(6-phenylnaphthalen-2-yl)phenanthren-9-amine
CID 134464876
N-(4-chrysen-2-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)fluoren-2-amine
CID 170675874
N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenanthren-9-amine
CID 134464834
N-[4-[4-[bis(9,9-dimethylfluoren-2-yl)amino]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylfluorene-2,7-diamine;N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;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-[4-(N-(4-naphthalen-2-ylphenyl)-4-phenylanilino)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;2-N,2-N,7-N,7-N-tetrakis(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluorene-2,7-diamine
CID 162201655
N-(9,9-dimethylfluoren-2-yl)-N-[7-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]phenanthren-9-amine
CID 134464828
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
N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N-(4-naphthalen-2-ylphenyl)benzo[a]fluoren-6-amine
CID 164929570
9,9-dimethyl-N,N-bis(4-phenanthren-3-ylphenyl)fluoren-2-amine
CID 142614599
N-(9,9-dimethylfluoren-2-yl)-N-(3-naphthalen-2-ylphenyl)benzo[c]phenanthren-2-amine
CID 167182297
N-[4-[4-[(9,9-dimethylfluoren-2-yl)-naphthalen-2-ylamino]phenyl]phenyl]-9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine
CID 58982933
N-(9,9-dimethylfluoren-2-yl)-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]phenanthren-9-amine
CID 155304715

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-(4-naphthalen-2-ylphenyl)benzo[c]phenanthren-5-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-(4-naphthalen-2-ylphenyl)benzo[c]phenanthren-5-amine (CID 167184455) is N-(9,9-dimethylfluoren-2-yl)-N-(4-naphthalen-2-ylphenyl)benzo[c]phenanthren-5-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-(4-naphthalen-2-ylphenyl)benzo[c]phenanthren-5-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-(4-naphthalen-2-ylphenyl)benzo[c]phenanthren-5-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3cc4ccc5ccccc5c4c4ccccc34)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-(4-naphthalen-2-ylphenyl)benzo[c]phenanthren-5-amine?
The InChIKey is XALQTPUZXCQHHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H35N/c1-49(2)45-18-10-9-15-41(45)42-28-27-39(31-46(42)49)50(38-25-23-33(24-26-38)36-21-19-32-11-3-4-13-35(32)29-36)47-30-37-22-20-34-12-5-6-14-40(34)48(37)44-17-8-7-16-43(44)47/h3-31H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-(4-naphthalen-2-ylphenyl)benzo[c]phenanthren-5-amine?
N-(9,9-dimethylfluoren-2-yl)-N-(4-naphthalen-2-ylphenyl)benzo[c]phenanthren-5-amine has a molecular weight of 637.83 g/mol, XLogP of 13.74, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-N-(4-naphthalen-2-ylphenyl)benzo[c]phenanthren-5-amine is sourced from PubChem (CID 167184455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).