7-(4a,9a-dihydrocarbazol-9-yl)-9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)fluoren-2-amine

C45H36N2 — CID 168721277

IUPAC7-(4a,9a-dihydrocarbazol-9-yl)-9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)fluoren-2-amine
SMILESCC1(C)c2cc(N(c3ccccc3)c3ccc(-c4ccccc4)cc3)ccc2-c2ccc(N3c4ccccc4C4C=CC=CC43)cc21
InChIInChI=1S/C45H36N2/c1-45(2)41-29-35(46(33-15-7-4-8-16-33)34-23-21-32(22-24-34)31-13-5-3-6-14-31)25-27-37(41)38-28-26-36(30-42(38)45)47-43-19-11-9-17-39(43)40-18-10-12-20-44(40)47/h3-30,39,43H,1-2H3
InChIKeyVMANLAUWRIJCNN-UHFFFAOYSA-N
MW604.80 g/mol
LogP11.86
Rot. Bonds5

About 7-(4a,9a-dihydrocarbazol-9-yl)-9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)fluoren-2-amine

7-(4a,9a-dihydrocarbazol-9-yl)-9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)fluoren-2-amine (PubChem CID 168721277) has the molecular formula C45H36N2 and a molecular weight of 604.80 g/mol. Its IUPAC name is 7-(4a,9a-dihydrocarbazol-9-yl)-9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

Compound Name7-(4a,9a-dihydrocarbazol-9-yl)-9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)fluoren-2-amine
PubChem CID168721277
Molecular FormulaC45H36N2
Molecular Weight604.80 g/mol
Exact Mass604.29
IUPAC Name7-(4a,9a-dihydrocarbazol-9-yl)-9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)fluoren-2-amine
SMILESCC1(C)c2cc(N(c3ccccc3)c3ccc(-c4ccccc4)cc3)ccc2-c2ccc(N3c4ccccc4C4C=CC=CC43)cc21
InChIInChI=1S/C45H36N2/c1-45(2)41-29-35(46(33-15-7-4-8-16-33)34-23-21-32(22-24-34)31-13-5-3-6-14-31)25-27-37(41)38-28-26-36(30-42(38)45)47-43-19-11-9-17-39(43)40-18-10-12-20-44(40)47/h3-30,39,43H,1-2H3
InChIKeyVMANLAUWRIJCNN-UHFFFAOYSA-N
XLogP11.86
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.80
LogP ≤ 511.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9,9-dimethyl-N-[4-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 144896810
N-[4-(4a,9a-dihydrocarbazol-9-yl)phenyl]-9,9-dimethyl-7-(2-methyl-10-phenylanthracen-9-yl)-N-phenylfluoren-2-amine
CID 89196889
N-[4-[9,9-dimethyl-7-(4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino)fluoren-2-yl]phenyl]-9-phenyl-N-[4-[4-(N-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
CID 137443923
2-N,7-N-bis[4-(3,5-diphenylphenyl)phenyl]-9,9-dimethyl-2-N,7-N-diphenylfluorene-2,7-diamine
CID 23561352
4-phenyl-N-[4-(9-phenyl-4b,8a-dihydrocarbazol-2-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 131993919
9,9-dimethyl-N-[4-(10-phenylphenazin-5-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 90120877
9,9-dimethyl-N-phenyl-7-(9-phenyl-1,2,3,4,4a,9a-hexahydrocarbazol-3-yl)-N-(4-phenylphenyl)fluoren-2-amine
CID 137493655
9,9-dimethyl-7-(4-phenylphenyl)-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 118428445
N-[4-[3-(4a,9a-dihydrocarbazol-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 154947238
N-(8a,9,9-trimethyl-4bH-fluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-9-phenyl-4b,8a-dihydrocarbazol-3-amine
CID 138671654
9,9-dimethyl-7-phenyl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 131994094
4-N,4-N-bis(9,9-dimethylfluoren-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 23561786

Frequently Asked Questions

What is the IUPAC name of 7-(4a,9a-dihydrocarbazol-9-yl)-9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)fluoren-2-amine?
The IUPAC name of 7-(4a,9a-dihydrocarbazol-9-yl)-9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)fluoren-2-amine (CID 168721277) is 7-(4a,9a-dihydrocarbazol-9-yl)-9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)fluoren-2-amine.
What is the SMILES notation for 7-(4a,9a-dihydrocarbazol-9-yl)-9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)fluoren-2-amine?
The canonical SMILES for 7-(4a,9a-dihydrocarbazol-9-yl)-9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)fluoren-2-amine is CC1(C)c2cc(N(c3ccccc3)c3ccc(-c4ccccc4)cc3)ccc2-c2ccc(N3c4ccccc4C4C=CC=CC43)cc21.
What is the InChIKey of 7-(4a,9a-dihydrocarbazol-9-yl)-9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)fluoren-2-amine?
The InChIKey is VMANLAUWRIJCNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H36N2/c1-45(2)41-29-35(46(33-15-7-4-8-16-33)34-23-21-32(22-24-34)31-13-5-3-6-14-31)25-27-37(41)38-28-26-36(30-42(38)45)47-43-19-11-9-17-39(43)40-18-10-12-20-44(40)47/h3-30,39,43H,1-2H3.
What are the key properties of 7-(4a,9a-dihydrocarbazol-9-yl)-9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)fluoren-2-amine?
7-(4a,9a-dihydrocarbazol-9-yl)-9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)fluoren-2-amine has a molecular weight of 604.80 g/mol, XLogP of 11.86, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4a,9a-dihydrocarbazol-9-yl)-9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 168721277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).