7-(4,4a-dihydrocarbazol-9-yl)-9,9-dimethyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)-N-(4-phenylphenyl)fluoren-2-amine

C51H42N2 — CID 167154560

IUPAC7-(4,4a-dihydrocarbazol-9-yl)-9,9-dimethyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)-N-(4-phenylphenyl)fluoren-2-amine
SMILESCC1(C)c2cc(N3C4=CC=CCC4c4ccccc43)ccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)C3C=CC(c4ccccc4)=CC3)cc21
InChIInChI=1S/C51H42N2/c1-51(2)47-33-41(29-31-43(47)44-32-30-42(34-48(44)51)53-49-19-11-9-17-45(49)46-18-10-12-20-50(46)53)52(39-25-21-37(22-26-39)35-13-5-3-6-14-35)40-27-23-38(24-28-40)36-15-7-4-8-16-36/h3-17,19-27,29-34,40,46H,18,28H2,1-2H3
InChIKeyFWVGMOIJKZOZBG-UHFFFAOYSA-N
MW682.91 g/mol
LogP13.29
Rot. Bonds6

About 7-(4,4a-dihydrocarbazol-9-yl)-9,9-dimethyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)-N-(4-phenylphenyl)fluoren-2-amine

7-(4,4a-dihydrocarbazol-9-yl)-9,9-dimethyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)-N-(4-phenylphenyl)fluoren-2-amine (PubChem CID 167154560) has the molecular formula C51H42N2 and a molecular weight of 682.91 g/mol. Its IUPAC name is 7-(4,4a-dihydrocarbazol-9-yl)-9,9-dimethyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)-N-(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

Compound Name7-(4,4a-dihydrocarbazol-9-yl)-9,9-dimethyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)-N-(4-phenylphenyl)fluoren-2-amine
PubChem CID167154560
Molecular FormulaC51H42N2
Molecular Weight682.91 g/mol
Exact Mass682.33
IUPAC Name7-(4,4a-dihydrocarbazol-9-yl)-9,9-dimethyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)-N-(4-phenylphenyl)fluoren-2-amine
SMILESCC1(C)c2cc(N3C4=CC=CCC4c4ccccc43)ccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)C3C=CC(c4ccccc4)=CC3)cc21
InChIInChI=1S/C51H42N2/c1-51(2)47-33-41(29-31-43(47)44-32-30-42(34-48(44)51)53-49-19-11-9-17-45(49)46-18-10-12-20-50(46)53)52(39-25-21-37(22-26-39)35-13-5-3-6-14-35)40-27-23-38(24-28-40)36-15-7-4-8-16-36/h3-17,19-27,29-34,40,46H,18,28H2,1-2H3
InChIKeyFWVGMOIJKZOZBG-UHFFFAOYSA-N
XLogP13.29
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500682.91
LogP ≤ 513.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9,9-dimethyl-2-N,2-N-diphenyl-7-N-(4-phenylcyclohexa-2,4-dien-1-yl)-7-N-(4-phenylphenyl)fluorene-2,7-diamine
CID 167250657
N-[4-(4,4a-dihydrocarbazol-9-yl)phenyl]-6,6,12,12-tetramethyl-10-phenyl-N-[4-(4-phenylphenyl)phenyl]indeno[1,2-b]fluoren-2-amine
CID 167169670
9,9-dimethyl-N-[4-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)phenyl]-N-(4-phenylcyclohexa-2,4-dien-1-yl)fluoren-2-amine
CID 129301169
9,9-dimethyl-N-[4-(9-phenyl-4b,5-dihydrocarbazol-2-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 145370596
6-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3,5-diphenylphenyl)-4,4a-dihydrocarbazole
CID 145340628
6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-[4-(2,6-diphenyl-1,2-dihydropyridin-4-yl)phenyl]-4,4a-dihydrocarbazole
CID 145340775
N-(4-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-yl)-9,9-dimethyl-7-(3-methylphenyl)-N-(4-phenylphenyl)fluoren-2-amine
CID 138714538
7,7-dimethyl-N,N-bis(2-methylphenyl)-5-phenyl-1,12b-dihydroindeno[2,1-b]carbazol-9-amine
CID 70819605
5-phenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)-N-(4-phenylphenyl)-2-[4-phenyl-2-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]aniline
CID 139322280
N-(4-naphthalen-2-ylphenyl)-N-(4-phenylcyclohexa-2,4-dien-1-yl)spiro[adamantane-2,9'-fluorene]-2'-amine
CID 163641907
N-[4-[2-[(Z)-but-1-en-3-ynyl]-1-cyclohexa-2,4-dien-1-yl-3-methylindol-5-yl]cyclohexa-2,4-dien-1-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 134591802
9-phenyl-4,4a-dihydrocarbazole
CID 139382101

Frequently Asked Questions

What is the IUPAC name of 7-(4,4a-dihydrocarbazol-9-yl)-9,9-dimethyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)-N-(4-phenylphenyl)fluoren-2-amine?
The IUPAC name of 7-(4,4a-dihydrocarbazol-9-yl)-9,9-dimethyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)-N-(4-phenylphenyl)fluoren-2-amine (CID 167154560) is 7-(4,4a-dihydrocarbazol-9-yl)-9,9-dimethyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)-N-(4-phenylphenyl)fluoren-2-amine.
What is the SMILES notation for 7-(4,4a-dihydrocarbazol-9-yl)-9,9-dimethyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)-N-(4-phenylphenyl)fluoren-2-amine?
The canonical SMILES for 7-(4,4a-dihydrocarbazol-9-yl)-9,9-dimethyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)-N-(4-phenylphenyl)fluoren-2-amine is CC1(C)c2cc(N3C4=CC=CCC4c4ccccc43)ccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)C3C=CC(c4ccccc4)=CC3)cc21.
What is the InChIKey of 7-(4,4a-dihydrocarbazol-9-yl)-9,9-dimethyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)-N-(4-phenylphenyl)fluoren-2-amine?
The InChIKey is FWVGMOIJKZOZBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H42N2/c1-51(2)47-33-41(29-31-43(47)44-32-30-42(34-48(44)51)53-49-19-11-9-17-45(49)46-18-10-12-20-50(46)53)52(39-25-21-37(22-26-39)35-13-5-3-6-14-35)40-27-23-38(24-28-40)36-15-7-4-8-16-36/h3-17,19-27,29-34,40,46H,18,28H2,1-2H3.
What are the key properties of 7-(4,4a-dihydrocarbazol-9-yl)-9,9-dimethyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)-N-(4-phenylphenyl)fluoren-2-amine?
7-(4,4a-dihydrocarbazol-9-yl)-9,9-dimethyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)-N-(4-phenylphenyl)fluoren-2-amine has a molecular weight of 682.91 g/mol, XLogP of 13.29, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4,4a-dihydrocarbazol-9-yl)-9,9-dimethyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)-N-(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 167154560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).