N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-(4-methylphenyl)benzo[g]fluoren-9-amine

C41H35N — CID 164794440

IUPACN-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-(4-methylphenyl)benzo[g]fluoren-9-amine
SMILESCc1ccc(N(c2ccc3c(c2)C(C)(C)c2ccccc2-3)c2ccc3c(c2)C(C)(C)c2ccc4ccccc4c2-3)cc1
InChIInChI=1S/C41H35N/c1-26-14-17-28(18-15-26)42(29-19-21-33-32-12-8-9-13-35(32)40(2,3)37(33)24-29)30-20-22-34-38(25-30)41(4,5)36-23-16-27-10-6-7-11-31(27)39(34)36/h6-25H,1-5H3
InChIKeyKMQJEIVHFNOHMN-UHFFFAOYSA-N
MW541.74 g/mol
LogP11.23
Rot. Bonds3

About N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-(4-methylphenyl)benzo[g]fluoren-9-amine

N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-(4-methylphenyl)benzo[g]fluoren-9-amine (PubChem CID 164794440) has the molecular formula C41H35N and a molecular weight of 541.74 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-(4-methylphenyl)benzo[g]fluoren-9-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-(4-methylphenyl)benzo[g]fluoren-9-amine
PubChem CID164794440
Molecular FormulaC41H35N
Molecular Weight541.74 g/mol
Exact Mass541.28
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-(4-methylphenyl)benzo[g]fluoren-9-amine
SMILESCc1ccc(N(c2ccc3c(c2)C(C)(C)c2ccccc2-3)c2ccc3c(c2)C(C)(C)c2ccc4ccccc4c2-3)cc1
InChIInChI=1S/C41H35N/c1-26-14-17-28(18-15-26)42(29-19-21-33-32-12-8-9-13-35(32)40(2,3)37(33)24-29)30-20-22-34-38(25-30)41(4,5)36-23-16-27-10-6-7-11-31(27)39(34)36/h6-25H,1-5H3
InChIKeyKMQJEIVHFNOHMN-UHFFFAOYSA-N
XLogP11.23
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.74
LogP ≤ 511.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

7,7-dimethyl-N-[4-(4-methylphenyl)phenyl]-N-phenylbenzo[g]fluoren-9-amine
CID 143561123
N,N-bis(7,7-dimethylbenzo[g]fluoren-9-yl)-7,7-dimethylbenzo[g]fluoren-9-amine
CID 90272762
N-(9,9-dimethylfluoren-2-yl)-N-phenylspiro[benzo[g]fluorene-7,9'-fluorene]-9-amine
CID 134193943
N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-(3-naphthalen-1-ylphenyl)benzo[g]fluoren-9-amine
CID 166974898
9,9-dimethyl-N,N-bis(4-methylphenyl)fluoren-2-amine
CID 11111910
9,9-dimethyl-N-(4-phenylphenyl)-N-(4-spiro[benzo[c]fluorene-7,9'-fluorene]-1'-ylphenyl)fluoren-2-amine
CID 130380017
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
9,9-dimethyl-N,N-bis(4-phenanthren-3-ylphenyl)fluoren-2-amine
CID 142614599
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-[4-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]phenyl]-N,4-diphenylaniline
CID 130250677
1-N-(9,9-dimethylfluoren-2-yl)-4-N-phenyl-4-N-(1-phenylnaphthalen-2-yl)-1-N-(4-phenylphenyl)benzene-1,4-diamine
CID 176611732
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

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-(4-methylphenyl)benzo[g]fluoren-9-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-(4-methylphenyl)benzo[g]fluoren-9-amine (CID 164794440) is N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-(4-methylphenyl)benzo[g]fluoren-9-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-(4-methylphenyl)benzo[g]fluoren-9-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-(4-methylphenyl)benzo[g]fluoren-9-amine is Cc1ccc(N(c2ccc3c(c2)C(C)(C)c2ccccc2-3)c2ccc3c(c2)C(C)(C)c2ccc4ccccc4c2-3)cc1.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-(4-methylphenyl)benzo[g]fluoren-9-amine?
The InChIKey is KMQJEIVHFNOHMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H35N/c1-26-14-17-28(18-15-26)42(29-19-21-33-32-12-8-9-13-35(32)40(2,3)37(33)24-29)30-20-22-34-38(25-30)41(4,5)36-23-16-27-10-6-7-11-31(27)39(34)36/h6-25H,1-5H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-(4-methylphenyl)benzo[g]fluoren-9-amine?
N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-(4-methylphenyl)benzo[g]fluoren-9-amine has a molecular weight of 541.74 g/mol, XLogP of 11.23, 3 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)-7,7-dimethyl-N-(4-methylphenyl)benzo[g]fluoren-9-amine is sourced from PubChem (CID 164794440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).