N-(9,9-dimethylfluoren-3-yl)-N-(2-naphthalen-2-ylphenyl)chrysen-6-amine

C49H35N — CID 170139071

IUPACN-(9,9-dimethylfluoren-3-yl)-N-(2-naphthalen-2-ylphenyl)chrysen-6-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccccc3-c3ccc4ccccc4c3)c3cc4c5ccccc5ccc4c4ccccc34)ccc21
InChIInChI=1S/C49H35N/c1-49(2)45-21-11-9-19-41(45)44-30-36(26-28-46(44)49)50(47-22-12-10-17-38(47)35-24-23-32-13-3-4-15-34(32)29-35)48-31-43-37-16-6-5-14-33(37)25-27-40(43)39-18-7-8-20-42(39)48/h3-31H,1-2H3
InChIKeyZTMMSXXGGDSMSI-UHFFFAOYSA-N
MW637.83 g/mol
LogP13.74
Rot. Bonds4

About N-(9,9-dimethylfluoren-3-yl)-N-(2-naphthalen-2-ylphenyl)chrysen-6-amine

N-(9,9-dimethylfluoren-3-yl)-N-(2-naphthalen-2-ylphenyl)chrysen-6-amine (PubChem CID 170139071) has the molecular formula C49H35N and a molecular weight of 637.83 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-3-yl)-N-(2-naphthalen-2-ylphenyl)chrysen-6-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-3-yl)-N-(2-naphthalen-2-ylphenyl)chrysen-6-amine
PubChem CID170139071
Molecular FormulaC49H35N
Molecular Weight637.83 g/mol
Exact Mass637.28
IUPAC NameN-(9,9-dimethylfluoren-3-yl)-N-(2-naphthalen-2-ylphenyl)chrysen-6-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccccc3-c3ccc4ccccc4c3)c3cc4c5ccccc5ccc4c4ccccc34)ccc21
InChIInChI=1S/C49H35N/c1-49(2)45-21-11-9-19-41(45)44-30-36(26-28-46(44)49)50(47-22-12-10-17-38(47)35-24-23-32-13-3-4-15-34(32)29-35)48-31-43-37-16-6-5-14-33(37)25-27-40(43)39-18-7-8-20-42(39)48/h3-31H,1-2H3
InChIKeyZTMMSXXGGDSMSI-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-3-yl)-N-(2-phenylphenyl)chrysen-6-amine
CID 170139066
N-(4-chrysen-2-ylphenyl)-9,9-dimethyl-N-(2-naphthalen-2-ylphenyl)fluoren-3-amine
CID 170139772
N-(9,9-dimethylfluoren-3-yl)-N-(2-naphthalen-2-ylphenyl)benzo[g]phenanthren-3-amine
CID 167183210
N-(4-chrysen-6-ylphenyl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-3-amine
CID 170139095
N-(9,9-dimethylfluoren-2-yl)-N-(2-naphthalen-2-ylphenyl)chrysen-4-amine
CID 170140136
N-(4-chrysen-3-ylphenyl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-3-amine
CID 170675902
9,9-dimethyl-N-[2-(5-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)phenyl]-N-(4-phenylphenyl)fluoren-3-amine
CID 177100674
9,9-dimethyl-N,7-dinaphthalen-1-yl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-naphthalen-1-yl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine;N-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-N-[2-(4-phenylphenyl)phenyl]phenanthren-9-amine;9,9-dimethyl-7-naphthalen-1-yl-N-naphthalen-2-yl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine;9,9-dimethyl-7-naphthalen-1-yl-N-phenyl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine;9,9-dimethyl-7-naphthalen-1-yl-N-(4-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 159564586
9,9-dimethyl-N-(2-naphthalen-2-ylphenyl)-N-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)fluoren-3-amine
CID 170035951
1-N,3-N-bis(9,9-dimethylfluoren-3-yl)-1-N,3-N-diphenylphenanthrene-1,3-diamine
CID 162490122
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)phenanthren-9-amine
CID 134464885
N-(4-chrysen-3-ylphenyl)-9,9-dimethyl-N-(3-naphthalen-2-ylphenyl)fluoren-3-amine
CID 170675865

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-3-yl)-N-(2-naphthalen-2-ylphenyl)chrysen-6-amine?
The IUPAC name of N-(9,9-dimethylfluoren-3-yl)-N-(2-naphthalen-2-ylphenyl)chrysen-6-amine (CID 170139071) is N-(9,9-dimethylfluoren-3-yl)-N-(2-naphthalen-2-ylphenyl)chrysen-6-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-3-yl)-N-(2-naphthalen-2-ylphenyl)chrysen-6-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-3-yl)-N-(2-naphthalen-2-ylphenyl)chrysen-6-amine is CC1(C)c2ccccc2-c2cc(N(c3ccccc3-c3ccc4ccccc4c3)c3cc4c5ccccc5ccc4c4ccccc34)ccc21.
What is the InChIKey of N-(9,9-dimethylfluoren-3-yl)-N-(2-naphthalen-2-ylphenyl)chrysen-6-amine?
The InChIKey is ZTMMSXXGGDSMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H35N/c1-49(2)45-21-11-9-19-41(45)44-30-36(26-28-46(44)49)50(47-22-12-10-17-38(47)35-24-23-32-13-3-4-15-34(32)29-35)48-31-43-37-16-6-5-14-33(37)25-27-40(43)39-18-7-8-20-42(39)48/h3-31H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-3-yl)-N-(2-naphthalen-2-ylphenyl)chrysen-6-amine?
N-(9,9-dimethylfluoren-3-yl)-N-(2-naphthalen-2-ylphenyl)chrysen-6-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-3-yl)-N-(2-naphthalen-2-ylphenyl)chrysen-6-amine is sourced from PubChem (CID 170139071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).