N-(9,9-dimethylfluoren-3-yl)-7,7-dimethyl-N-(4-methylphenyl)-5-phenylbenzo[g]fluoren-8-amine

C47H39N — CID 164829480

IUPACN-(9,9-dimethylfluoren-3-yl)-7,7-dimethyl-N-(4-methylphenyl)-5-phenylbenzo[g]fluoren-8-amine
SMILESCc1ccc(N(c2ccc3c(c2)-c2ccccc2C3(C)C)c2cccc3c2C(C)(C)c2cc(-c4ccccc4)c4ccccc4c2-3)cc1
InChIInChI=1S/C47H39N/c1-30-22-24-32(25-23-30)48(33-26-27-41-39(28-33)35-17-11-12-20-40(35)46(41,2)3)43-21-13-19-37-44-36-18-10-9-16-34(36)38(31-14-7-6-8-15-31)29-42(44)47(4,5)45(37)43/h6-29H,1-5H3
InChIKeyOUNGZGCDMBTFMZ-UHFFFAOYSA-N
MW617.84 g/mol
LogP12.90
Rot. Bonds4

About N-(9,9-dimethylfluoren-3-yl)-7,7-dimethyl-N-(4-methylphenyl)-5-phenylbenzo[g]fluoren-8-amine

N-(9,9-dimethylfluoren-3-yl)-7,7-dimethyl-N-(4-methylphenyl)-5-phenylbenzo[g]fluoren-8-amine (PubChem CID 164829480) has the molecular formula C47H39N and a molecular weight of 617.84 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-3-yl)-7,7-dimethyl-N-(4-methylphenyl)-5-phenylbenzo[g]fluoren-8-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-3-yl)-7,7-dimethyl-N-(4-methylphenyl)-5-phenylbenzo[g]fluoren-8-amine
PubChem CID164829480
Molecular FormulaC47H39N
Molecular Weight617.84 g/mol
Exact Mass617.31
IUPAC NameN-(9,9-dimethylfluoren-3-yl)-7,7-dimethyl-N-(4-methylphenyl)-5-phenylbenzo[g]fluoren-8-amine
SMILESCc1ccc(N(c2ccc3c(c2)-c2ccccc2C3(C)C)c2cccc3c2C(C)(C)c2cc(-c4ccccc4)c4ccccc4c2-3)cc1
InChIInChI=1S/C47H39N/c1-30-22-24-32(25-23-30)48(33-26-27-41-39(28-33)35-17-11-12-20-40(35)46(41,2)3)43-21-13-19-37-44-36-18-10-9-16-34(36)38(31-14-7-6-8-15-31)29-42(44)47(4,5)45(37)43/h6-29H,1-5H3
InChIKeyOUNGZGCDMBTFMZ-UHFFFAOYSA-N
XLogP12.90
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500617.84
LogP ≤ 512.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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
11,11-dimethyl-5-phenyl-N-(4-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]benzo[a]fluoren-8-amine
CID 170372841
N-(9,9-dimethylfluoren-4-yl)-N-(7,7-dimethyl-5-phenylbenzo[g]fluoren-9-yl)-7,7-dimethyl-5-phenylbenzo[g]fluoren-9-amine
CID 159323386
7,7-dimethyl-N-(2-phenylphenyl)-N,5-bis(4-phenylphenyl)benzo[g]fluoren-9-amine
CID 121321506
9,9-dimethyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-N-(4-methylphenyl)fluoren-3-amine
CID 71249366
9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-3-amine
CID 121285785
N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N,5-bis(4-phenylphenyl)benzo[a]fluoren-7-amine
CID 170373587
N-(4-chrysen-6-ylphenyl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-3-amine
CID 170139095
N-(4-benzo[c]phenanthren-5-ylphenyl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-3-amine
CID 167182689
6,6,12,12-tetramethyl-N,N-bis(4-methylphenyl)-10-phenylindeno[1,2-b]fluoren-2-amine
CID 138455846
N-[4-[3-[4-(N-(9,9-dimethylfluoren-1-yl)anilino)phenyl]-5-phenylphenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-1-amine;N-[4-[3-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-5-phenylphenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-[3-phenyl-5-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]fluoren-1-amine;9,9-dimethyl-N-phenyl-N-[4-[3-phenyl-5-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-[3-phenyl-5-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]fluoren-3-amine;9,9-dimethyl-N-phenyl-N-[4-[3-phenyl-5-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]fluoren-4-amine
CID 160533887
N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-1-amine;N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethyl-N-naphthalen-2-ylfluoren-1-amine;N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-1-amine
CID 159322510

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-3-yl)-7,7-dimethyl-N-(4-methylphenyl)-5-phenylbenzo[g]fluoren-8-amine?
The IUPAC name of N-(9,9-dimethylfluoren-3-yl)-7,7-dimethyl-N-(4-methylphenyl)-5-phenylbenzo[g]fluoren-8-amine (CID 164829480) is N-(9,9-dimethylfluoren-3-yl)-7,7-dimethyl-N-(4-methylphenyl)-5-phenylbenzo[g]fluoren-8-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-3-yl)-7,7-dimethyl-N-(4-methylphenyl)-5-phenylbenzo[g]fluoren-8-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-3-yl)-7,7-dimethyl-N-(4-methylphenyl)-5-phenylbenzo[g]fluoren-8-amine is Cc1ccc(N(c2ccc3c(c2)-c2ccccc2C3(C)C)c2cccc3c2C(C)(C)c2cc(-c4ccccc4)c4ccccc4c2-3)cc1.
What is the InChIKey of N-(9,9-dimethylfluoren-3-yl)-7,7-dimethyl-N-(4-methylphenyl)-5-phenylbenzo[g]fluoren-8-amine?
The InChIKey is OUNGZGCDMBTFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H39N/c1-30-22-24-32(25-23-30)48(33-26-27-41-39(28-33)35-17-11-12-20-40(35)46(41,2)3)43-21-13-19-37-44-36-18-10-9-16-34(36)38(31-14-7-6-8-15-31)29-42(44)47(4,5)45(37)43/h6-29H,1-5H3.
What are the key properties of N-(9,9-dimethylfluoren-3-yl)-7,7-dimethyl-N-(4-methylphenyl)-5-phenylbenzo[g]fluoren-8-amine?
N-(9,9-dimethylfluoren-3-yl)-7,7-dimethyl-N-(4-methylphenyl)-5-phenylbenzo[g]fluoren-8-amine has a molecular weight of 617.84 g/mol, XLogP of 12.90, 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)-7,7-dimethyl-N-(4-methylphenyl)-5-phenylbenzo[g]fluoren-8-amine is sourced from PubChem (CID 164829480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).