5-benzhydryl-7,7-dimethyl-N,N-diphenylbenzo[g]fluoren-9-amine

C44H35N — CID 164786676

IUPAC5-benzhydryl-7,7-dimethyl-N,N-diphenylbenzo[g]fluoren-9-amine
SMILESCC1(C)c2cc(N(c3ccccc3)c3ccccc3)ccc2-c2c1cc(C(c1ccccc1)c1ccccc1)c1ccccc21
InChIInChI=1S/C44H35N/c1-44(2)40-29-35(45(33-21-11-5-12-22-33)34-23-13-6-14-24-34)27-28-38(40)43-37-26-16-15-25-36(37)39(30-41(43)44)42(31-17-7-3-8-18-31)32-19-9-4-10-20-32/h3-30,42H,1-2H3
InChIKeyQSBQBUKDUKRSJZ-UHFFFAOYSA-N
MW577.77 g/mol
LogP11.80
Rot. Bonds6

About 5-benzhydryl-7,7-dimethyl-N,N-diphenylbenzo[g]fluoren-9-amine

5-benzhydryl-7,7-dimethyl-N,N-diphenylbenzo[g]fluoren-9-amine (PubChem CID 164786676) has the molecular formula C44H35N and a molecular weight of 577.77 g/mol. Its IUPAC name is 5-benzhydryl-7,7-dimethyl-N,N-diphenylbenzo[g]fluoren-9-amine.

Molecular Properties

Compound Name5-benzhydryl-7,7-dimethyl-N,N-diphenylbenzo[g]fluoren-9-amine
PubChem CID164786676
Molecular FormulaC44H35N
Molecular Weight577.77 g/mol
Exact Mass577.28
IUPAC Name5-benzhydryl-7,7-dimethyl-N,N-diphenylbenzo[g]fluoren-9-amine
SMILESCC1(C)c2cc(N(c3ccccc3)c3ccccc3)ccc2-c2c1cc(C(c1ccccc1)c1ccccc1)c1ccccc21
InChIInChI=1S/C44H35N/c1-44(2)40-29-35(45(33-21-11-5-12-22-33)34-23-13-6-14-24-34)27-28-38(40)43-37-26-16-15-25-36(37)39(30-41(43)44)42(31-17-7-3-8-18-31)32-19-9-4-10-20-32/h3-30,42H,1-2H3
InChIKeyQSBQBUKDUKRSJZ-UHFFFAOYSA-N
XLogP11.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.77
LogP ≤ 511.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

5-[(E)-2-[7,7-dimethyl-9-(N-phenylanilino)benzo[c]fluoren-5-yl]ethenyl]-7,7-dimethyl-N,N-diphenylbenzo[g]fluoren-9-amine
CID 59412990
7,7-dimethyl-5-N,5-N,9-N,9-N-tetrakis(4-phenylphenyl)benzo[c]fluorene-5,9-diamine
CID 162712053
21,21-dimethyl-N,N-diphenylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-amine
CID 155298572
22-ethyl-12,12,22-trimethyl-9-N,9-N,19-N,19-N-tetraphenylhexacyclo[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-undecaene-9,19-diamine
CID 123586227
3,3,24,24-tetramethyl-6-N,21-N-diphenyl-6-N,21-N-bis(4-phenylphenyl)hexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene-6,21-diamine
CID 59182237
7-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
CID 153018330
2-N'-(9,9-dimethylfluoren-2-yl)-2-N',5-N,5-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-2',5-diamine
CID 168775359
8,8,13,13-tetramethyl-5-N,5-N,16-N,16-N-tetraphenylhexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene-5,16-diamine
CID 59181773
N,N-bis(7,7-dimethylbenzo[g]fluoren-9-yl)-7,7-dimethylbenzo[g]fluoren-9-amine
CID 90272762
7,7-dimethyl-N-(2-phenylphenyl)-N,5-bis(4-phenylphenyl)benzo[g]fluoren-9-amine
CID 121321506
5-benzhydryl-7,7-dimethyl-N,N-diphenylbenzo[g]fluoren-9-amine;5-N,9-N-bis(4-methylphenyl)-7,7-diphenyl-5-N,9-N-bis(4-trimethylsilylphenyl)benzo[c]fluorene-5,9-diamine;9,10-dinaphthalen-2-yl-2-N,2-N,6-N,6-N-tetraphenylanthracene-2,6-diamine;5-N,5-N,18-N,18-N,21,21-hexakis-phenylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine
CID 165095999
2-N,7-N-bis[4-(3,5-diphenylphenyl)phenyl]-9,9-dimethyl-2-N,7-N-diphenylfluorene-2,7-diamine
CID 23561352

Frequently Asked Questions

What is the IUPAC name of 5-benzhydryl-7,7-dimethyl-N,N-diphenylbenzo[g]fluoren-9-amine?
The IUPAC name of 5-benzhydryl-7,7-dimethyl-N,N-diphenylbenzo[g]fluoren-9-amine (CID 164786676) is 5-benzhydryl-7,7-dimethyl-N,N-diphenylbenzo[g]fluoren-9-amine.
What is the SMILES notation for 5-benzhydryl-7,7-dimethyl-N,N-diphenylbenzo[g]fluoren-9-amine?
The canonical SMILES for 5-benzhydryl-7,7-dimethyl-N,N-diphenylbenzo[g]fluoren-9-amine is CC1(C)c2cc(N(c3ccccc3)c3ccccc3)ccc2-c2c1cc(C(c1ccccc1)c1ccccc1)c1ccccc21.
What is the InChIKey of 5-benzhydryl-7,7-dimethyl-N,N-diphenylbenzo[g]fluoren-9-amine?
The InChIKey is QSBQBUKDUKRSJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H35N/c1-44(2)40-29-35(45(33-21-11-5-12-22-33)34-23-13-6-14-24-34)27-28-38(40)43-37-26-16-15-25-36(37)39(30-41(43)44)42(31-17-7-3-8-18-31)32-19-9-4-10-20-32/h3-30,42H,1-2H3.
What are the key properties of 5-benzhydryl-7,7-dimethyl-N,N-diphenylbenzo[g]fluoren-9-amine?
5-benzhydryl-7,7-dimethyl-N,N-diphenylbenzo[g]fluoren-9-amine has a molecular weight of 577.77 g/mol, XLogP of 11.80, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzhydryl-7,7-dimethyl-N,N-diphenylbenzo[g]fluoren-9-amine is sourced from PubChem (CID 164786676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).