7,7-dimethyl-N-[4-(4-methylphenyl)phenyl]-N-phenylbenzo[g]fluoren-9-amine

C38H31N — CID 143561123

IUPAC7,7-dimethyl-N-[4-(4-methylphenyl)phenyl]-N-phenylbenzo[g]fluoren-9-amine
SMILESCc1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)C(C)(C)c3ccc5ccccc5c3-4)cc2)cc1
InChIInChI=1S/C38H31N/c1-26-13-15-27(16-14-26)28-17-20-31(21-18-28)39(30-10-5-4-6-11-30)32-22-23-34-36(25-32)38(2,3)35-24-19-29-9-7-8-12-33(29)37(34)35/h4-25H,1-3H3
InChIKeyABQOLJJYHUXUNX-UHFFFAOYSA-N
MW501.67 g/mol
LogP10.59
Rot. Bonds4

About 7,7-dimethyl-N-[4-(4-methylphenyl)phenyl]-N-phenylbenzo[g]fluoren-9-amine

7,7-dimethyl-N-[4-(4-methylphenyl)phenyl]-N-phenylbenzo[g]fluoren-9-amine (PubChem CID 143561123) has the molecular formula C38H31N and a molecular weight of 501.67 g/mol. Its IUPAC name is 7,7-dimethyl-N-[4-(4-methylphenyl)phenyl]-N-phenylbenzo[g]fluoren-9-amine.

Molecular Properties

Compound Name7,7-dimethyl-N-[4-(4-methylphenyl)phenyl]-N-phenylbenzo[g]fluoren-9-amine
PubChem CID143561123
Molecular FormulaC38H31N
Molecular Weight501.67 g/mol
Exact Mass501.25
IUPAC Name7,7-dimethyl-N-[4-(4-methylphenyl)phenyl]-N-phenylbenzo[g]fluoren-9-amine
SMILESCc1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)C(C)(C)c3ccc5ccccc5c3-4)cc2)cc1
InChIInChI=1S/C38H31N/c1-26-13-15-27(16-14-26)28-17-20-31(21-18-28)39(30-10-5-4-6-11-30)32-22-23-34-36(25-32)38(2,3)35-24-19-29-9-7-8-12-33(29)37(34)35/h4-25H,1-3H3
InChIKeyABQOLJJYHUXUNX-UHFFFAOYSA-N
XLogP10.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.67
LogP ≤ 510.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-(4-methylphenyl)benzo[g]fluoren-9-amine
CID 164794440
N-[4-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]phenyl]-N,4-diphenylaniline
CID 130250677
N,N-bis(7,7-dimethylbenzo[g]fluoren-9-yl)-7,7-dimethylbenzo[g]fluoren-9-amine
CID 90272762
12,12,22,22-tetramethyl-N-phenanthren-3-yl-N-(4-phenylphenyl)hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaen-19-amine
CID 118122815
7,7-dimethyl-N-[4-(1-methyl-2,4,5-triphenylpyrrol-3-yl)phenyl]-N-(4-phenylphenyl)benzo[g]fluoren-9-amine
CID 121450573
N-(11,11-dimethylbenzo[a]fluoren-9-yl)-11,11-dimethyl-N-(4-methylphenyl)benzo[a]fluoren-9-amine;N-(11,11-dimethylbenzo[a]fluoren-9-yl)-11,11-dimethyl-N-phenylbenzo[a]fluoren-9-amine;11,11-dimethyl-N,N-bis(4-phenylphenyl)benzo[a]fluoren-9-amine;11,11-dimethyl-N-phenyl-N-(4-phenylphenyl)benzo[a]fluoren-9-amine
CID 160513135
N-(7,7-dimethylbenzo[g]fluoren-9-yl)-12,12-dimethyl-N-(3-phenylphenyl)pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-7-amine
CID 130290737
8-N,22-N-bis(7,7-dimethylbenzo[g]fluoren-9-yl)-8-N,22-N-diphenyl-5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaene-8,22-diamine
CID 159152626
N-(7,7-dimethylbenzo[c]fluoren-2-yl)-7,7-dimethyl-N-(4-phenylphenyl)benzo[g]fluoren-9-amine;N-(7,7-dimethylbenzo[c]fluoren-2-yl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine;N-(9,9-diphenylfluoren-2-yl)-7,7-dimethyl-N-(4-phenylphenyl)benzo[c]fluoren-2-amine
CID 159928886
N-(7,7-dimethylbenzo[g]fluoren-9-yl)-N-(3,5-dimethylphenyl)-12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-7-amine
CID 130290624
N-(9,9-dimethylfluoren-2-yl)-N-phenylspiro[benzo[g]fluorene-7,9'-fluorene]-9-amine
CID 134193943
N-(12,12-dimethyl-17-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl)-12,12,22,22-tetramethyl-N-phenylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaen-19-amine
CID 130290138

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-N-[4-(4-methylphenyl)phenyl]-N-phenylbenzo[g]fluoren-9-amine?
The IUPAC name of 7,7-dimethyl-N-[4-(4-methylphenyl)phenyl]-N-phenylbenzo[g]fluoren-9-amine (CID 143561123) is 7,7-dimethyl-N-[4-(4-methylphenyl)phenyl]-N-phenylbenzo[g]fluoren-9-amine.
What is the SMILES notation for 7,7-dimethyl-N-[4-(4-methylphenyl)phenyl]-N-phenylbenzo[g]fluoren-9-amine?
The canonical SMILES for 7,7-dimethyl-N-[4-(4-methylphenyl)phenyl]-N-phenylbenzo[g]fluoren-9-amine is Cc1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)C(C)(C)c3ccc5ccccc5c3-4)cc2)cc1.
What is the InChIKey of 7,7-dimethyl-N-[4-(4-methylphenyl)phenyl]-N-phenylbenzo[g]fluoren-9-amine?
The InChIKey is ABQOLJJYHUXUNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H31N/c1-26-13-15-27(16-14-26)28-17-20-31(21-18-28)39(30-10-5-4-6-11-30)32-22-23-34-36(25-32)38(2,3)35-24-19-29-9-7-8-12-33(29)37(34)35/h4-25H,1-3H3.
What are the key properties of 7,7-dimethyl-N-[4-(4-methylphenyl)phenyl]-N-phenylbenzo[g]fluoren-9-amine?
7,7-dimethyl-N-[4-(4-methylphenyl)phenyl]-N-phenylbenzo[g]fluoren-9-amine has a molecular weight of 501.67 g/mol, XLogP of 10.59, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-N-[4-(4-methylphenyl)phenyl]-N-phenylbenzo[g]fluoren-9-amine is sourced from PubChem (CID 143561123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).