10-(7,7-dimethylbenzo[c]fluoren-5-yl)-N-(4-methylphenyl)-N-naphthalen-2-ylanthracen-9-amine

C50H37N — CID 88549319

IUPAC10-(7,7-dimethylbenzo[c]fluoren-5-yl)-N-(4-methylphenyl)-N-naphthalen-2-ylanthracen-9-amine
SMILESCc1ccc(N(c2ccc3ccccc3c2)c2c3ccccc3c(-c3cc4c(c5ccccc35)-c3ccccc3C4(C)C)c3ccccc23)cc1
InChIInChI=1S/C50H37N/c1-32-24-27-35(28-25-32)51(36-29-26-33-14-4-5-15-34(33)30-36)49-41-20-10-8-18-39(41)47(40-19-9-11-21-42(40)49)44-31-46-48(38-17-7-6-16-37(38)44)43-22-12-13-23-45(43)50(46,2)3/h4-31H,1-3H3
InChIKeyBRMPEXFEAHZZGF-UHFFFAOYSA-N
MW651.85 g/mol
LogP14.05
Rot. Bonds4

About 10-(7,7-dimethylbenzo[c]fluoren-5-yl)-N-(4-methylphenyl)-N-naphthalen-2-ylanthracen-9-amine

10-(7,7-dimethylbenzo[c]fluoren-5-yl)-N-(4-methylphenyl)-N-naphthalen-2-ylanthracen-9-amine (PubChem CID 88549319) has the molecular formula C50H37N and a molecular weight of 651.85 g/mol. Its IUPAC name is 10-(7,7-dimethylbenzo[c]fluoren-5-yl)-N-(4-methylphenyl)-N-naphthalen-2-ylanthracen-9-amine.

Molecular Properties

Compound Name10-(7,7-dimethylbenzo[c]fluoren-5-yl)-N-(4-methylphenyl)-N-naphthalen-2-ylanthracen-9-amine
PubChem CID88549319
Molecular FormulaC50H37N
Molecular Weight651.85 g/mol
Exact Mass651.29
IUPAC Name10-(7,7-dimethylbenzo[c]fluoren-5-yl)-N-(4-methylphenyl)-N-naphthalen-2-ylanthracen-9-amine
SMILESCc1ccc(N(c2ccc3ccccc3c2)c2c3ccccc3c(-c3cc4c(c5ccccc35)-c3ccccc3C4(C)C)c3ccccc23)cc1
InChIInChI=1S/C50H37N/c1-32-24-27-35(28-25-32)51(36-29-26-33-14-4-5-15-34(33)30-36)49-41-20-10-8-18-39(41)47(40-19-9-11-21-42(40)49)44-31-46-48(38-17-7-6-16-37(38)44)43-22-12-13-23-45(43)50(46,2)3/h4-31H,1-3H3
InChIKeyBRMPEXFEAHZZGF-UHFFFAOYSA-N
XLogP14.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.85
LogP ≤ 514.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

10-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N-(4-methylphenyl)-N-naphthalen-2-ylanthracen-9-amine
CID 59221590
N-(9,9-dimethylfluoren-2-yl)-10-[4-(4-methyl-N-naphthalen-2-ylanilino)phenyl]-N-phenylanthracen-9-amine
CID 59221508
N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-(4-methylphenyl)benzo[g]fluoren-9-amine
CID 164794440
10-N,10-N-bis[3-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-9-N-naphthalen-2-yl-9-N-phenylanthracene-9,10-diamine
CID 138667147
11,11-dimethyl-N-naphthalen-2-yl-6-phenyl-N-(4-phenylphenyl)benzo[a]fluoren-5-amine
CID 169280399
12,12,20,20-tetramethyl-2-N,16-N-dinaphthalen-2-yl-2-N,16-N-diphenylheptacyclo[15.11.0.03,15.05,13.06,11.019,27.021,26]octacosa-1,3,5(13),6,8,10,14,16,18,21,23,25,27-tridecaene-2,16-diamine
CID 89061931
10-[4-[(9,9-dimethylfluoren-2-yl)-naphthalen-1-ylamino]phenyl]-N-(4-methylphenyl)-N-naphthalen-1-ylanthracen-9-amine
CID 59221647
N-[4-[4-(N-(7,7-dimethylbenzo[c]fluoren-5-yl)-4-methylanilino)phenyl]phenyl]-7,7-dimethyl-N-(4-methylphenyl)benzo[c]fluoren-5-amine;N-[4-[4-(N-(7,7-dimethylbenzo[c]fluoren-5-yl)-3-phenylanilino)phenyl]phenyl]-7,7-dimethyl-N-(3-phenylphenyl)benzo[c]fluoren-5-amine
CID 159608670
7,7-dimethyl-N-phenanthren-2-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]benzo[c]fluoren-5-amine
CID 169285163
9,9-dimethyl-N-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)fluoren-4-amine
CID 169020370
N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-2-amine
CID 169020198
N-[4-[4-[(9,9-dimethylfluoren-2-yl)-naphthalen-2-ylamino]phenyl]phenyl]-9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine
CID 58982933

Frequently Asked Questions

What is the IUPAC name of 10-(7,7-dimethylbenzo[c]fluoren-5-yl)-N-(4-methylphenyl)-N-naphthalen-2-ylanthracen-9-amine?
The IUPAC name of 10-(7,7-dimethylbenzo[c]fluoren-5-yl)-N-(4-methylphenyl)-N-naphthalen-2-ylanthracen-9-amine (CID 88549319) is 10-(7,7-dimethylbenzo[c]fluoren-5-yl)-N-(4-methylphenyl)-N-naphthalen-2-ylanthracen-9-amine.
What is the SMILES notation for 10-(7,7-dimethylbenzo[c]fluoren-5-yl)-N-(4-methylphenyl)-N-naphthalen-2-ylanthracen-9-amine?
The canonical SMILES for 10-(7,7-dimethylbenzo[c]fluoren-5-yl)-N-(4-methylphenyl)-N-naphthalen-2-ylanthracen-9-amine is Cc1ccc(N(c2ccc3ccccc3c2)c2c3ccccc3c(-c3cc4c(c5ccccc35)-c3ccccc3C4(C)C)c3ccccc23)cc1.
What is the InChIKey of 10-(7,7-dimethylbenzo[c]fluoren-5-yl)-N-(4-methylphenyl)-N-naphthalen-2-ylanthracen-9-amine?
The InChIKey is BRMPEXFEAHZZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H37N/c1-32-24-27-35(28-25-32)51(36-29-26-33-14-4-5-15-34(33)30-36)49-41-20-10-8-18-39(41)47(40-19-9-11-21-42(40)49)44-31-46-48(38-17-7-6-16-37(38)44)43-22-12-13-23-45(43)50(46,2)3/h4-31H,1-3H3.
What are the key properties of 10-(7,7-dimethylbenzo[c]fluoren-5-yl)-N-(4-methylphenyl)-N-naphthalen-2-ylanthracen-9-amine?
10-(7,7-dimethylbenzo[c]fluoren-5-yl)-N-(4-methylphenyl)-N-naphthalen-2-ylanthracen-9-amine has a molecular weight of 651.85 g/mol, XLogP of 14.05, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(7,7-dimethylbenzo[c]fluoren-5-yl)-N-(4-methylphenyl)-N-naphthalen-2-ylanthracen-9-amine is sourced from PubChem (CID 88549319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).