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

C51H42N2 — CID 167250657

IUPAC9,9-dimethyl-2-N,2-N-diphenyl-7-N-(4-phenylcyclohexa-2,4-dien-1-yl)-7-N-(4-phenylphenyl)fluorene-2,7-diamine
SMILESCC1(C)c2cc(N(c3ccccc3)c3ccccc3)ccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)C3C=CC(c4ccccc4)=CC3)cc21
InChIInChI=1S/C51H42N2/c1-51(2)49-35-45(52(41-19-11-5-12-20-41)42-21-13-6-14-22-42)31-33-47(49)48-34-32-46(36-50(48)51)53(43-27-23-39(24-28-43)37-15-7-3-8-16-37)44-29-25-40(26-30-44)38-17-9-4-10-18-38/h3-29,31-36,44H,30H2,1-2H3
InChIKeyISTFDFJBWQKXNQ-UHFFFAOYSA-N
MW682.91 g/mol
LogP13.68
Rot. Bonds8

About 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

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 (PubChem CID 167250657) has the molecular formula C51H42N2 and a molecular weight of 682.91 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9,9-dimethyl-2-N,2-N-diphenyl-7-N-(4-phenylcyclohexa-2,4-dien-1-yl)-7-N-(4-phenylphenyl)fluorene-2,7-diamine
PubChem CID167250657
Molecular FormulaC51H42N2
Molecular Weight682.91 g/mol
Exact Mass682.33
IUPAC Name9,9-dimethyl-2-N,2-N-diphenyl-7-N-(4-phenylcyclohexa-2,4-dien-1-yl)-7-N-(4-phenylphenyl)fluorene-2,7-diamine
SMILESCC1(C)c2cc(N(c3ccccc3)c3ccccc3)ccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)C3C=CC(c4ccccc4)=CC3)cc21
InChIInChI=1S/C51H42N2/c1-51(2)49-35-45(52(41-19-11-5-12-20-41)42-21-13-6-14-22-42)31-33-47(49)48-34-32-46(36-50(48)51)53(43-27-23-39(24-28-43)37-15-7-3-8-16-37)44-29-25-40(26-30-44)38-17-9-4-10-18-38/h3-29,31-36,44H,30H2,1-2H3
InChIKeyISTFDFJBWQKXNQ-UHFFFAOYSA-N
XLogP13.68
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500682.91
LogP ≤ 513.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-9,9-diphenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)fluoren-2-amine
CID 134504581
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
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
2-N,7-N-bis[4-(3,5-diphenylphenyl)phenyl]-9,9-dimethyl-2-N,7-N-diphenylfluorene-2,7-diamine
CID 23561352
9,9-dimethyl-7-(4-phenylcyclohexa-1,5-dien-1-yl)-N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 170181217
9,9-dimethyl-7-(4-phenylphenyl)-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 118428445
9-hexyl-7,9-dimethyl-N-[4-[4-(N-methylanilino)phenyl]cyclohexa-2,4-dien-1-yl]-N-phenylfluoren-2-amine
CID 70807930
9,9-dimethyl-2-N,7-N-diphenyl-2-N-[4-(N-phenylanilino)phenyl]-7-N-[4-(2-phenylethenyl)phenyl]fluorene-2,7-diamine;1-N,1-N-diphenyl-4-N-[4-[4-[N-[4-(N-phenylanilino)phenyl]-4-(2-phenylethenyl)anilino]phenyl]phenyl]-4-N-[4-(2-phenylethenyl)phenyl]benzene-1,4-diamine;1-N,4-N-diphenyl-1-N-[4-(2-phenylethenyl)phenyl]-4-N-[4-(N-[4-(2-phenylethenyl)phenyl]anilino)phenyl]benzene-1,4-diamine;1-N,1-N-diphenyl-4-N-[4-(2-phenylethenyl)phenyl]-4-N-[4-[4-(N-[4-(2-phenylethenyl)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine;N-phenyl-4-(2-phenylethenyl)-N-[4-[4-(N-[4-[4-(N-[4-(2-phenylethenyl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline;1-N,1-N,4-N-triphenyl-4-N-[4-[4-(N-[4-(2-phenylethenyl)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine
CID 159986160
9,9-dimethyl-7-phenyl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 131994094
4-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N-diphenyl-4-N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine
CID 59025126
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 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2cc(N(c3ccccc3)c3ccccc3)ccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)C3C=CC(c4ccccc4)=CC3)cc21.
What is the InChIKey of 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?
The InChIKey is ISTFDFJBWQKXNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H42N2/c1-51(2)49-35-45(52(41-19-11-5-12-20-41)42-21-13-6-14-22-42)31-33-47(49)48-34-32-46(36-50(48)51)53(43-27-23-39(24-28-43)37-15-7-3-8-16-37)44-29-25-40(26-30-44)38-17-9-4-10-18-38/h3-29,31-36,44H,30H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 682.91 g/mol, XLogP of 13.68, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167250657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).