9,9-dimethyl-N-phenyl-N-[4-(7-quinolin-2-ylbenzo[c]carbazol-10-yl)phenyl]fluoren-2-amine

C52H37N3 — CID 70853803

IUPAC9,9-dimethyl-N-phenyl-N-[4-(7-quinolin-2-ylbenzo[c]carbazol-10-yl)phenyl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5c(c4)c4c6ccccc6ccc4n5-c4ccc5ccccc5n4)cc3)cc21
InChIInChI=1S/C52H37N3/c1-52(2)45-18-10-9-17-42(45)43-28-27-40(33-46(43)52)54(38-14-4-3-5-15-38)39-25-20-34(21-26-39)37-23-29-48-44(32-37)51-41-16-8-6-12-35(41)22-30-49(51)55(48)50-31-24-36-13-7-11-19-47(36)53-50/h3-33H,1-2H3
InChIKeyUEAMIQZTPHZOCP-UHFFFAOYSA-N
MW703.89 g/mol
LogP13.93
Rot. Bonds5

About 9,9-dimethyl-N-phenyl-N-[4-(7-quinolin-2-ylbenzo[c]carbazol-10-yl)phenyl]fluoren-2-amine

9,9-dimethyl-N-phenyl-N-[4-(7-quinolin-2-ylbenzo[c]carbazol-10-yl)phenyl]fluoren-2-amine (PubChem CID 70853803) has the molecular formula C52H37N3 and a molecular weight of 703.89 g/mol. Its IUPAC name is 9,9-dimethyl-N-phenyl-N-[4-(7-quinolin-2-ylbenzo[c]carbazol-10-yl)phenyl]fluoren-2-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-phenyl-N-[4-(7-quinolin-2-ylbenzo[c]carbazol-10-yl)phenyl]fluoren-2-amine
PubChem CID70853803
Molecular FormulaC52H37N3
Molecular Weight703.89 g/mol
Exact Mass703.30
IUPAC Name9,9-dimethyl-N-phenyl-N-[4-(7-quinolin-2-ylbenzo[c]carbazol-10-yl)phenyl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5c(c4)c4c6ccccc6ccc4n5-c4ccc5ccccc5n4)cc3)cc21
InChIInChI=1S/C52H37N3/c1-52(2)45-18-10-9-17-42(45)43-28-27-40(33-46(43)52)54(38-14-4-3-5-15-38)39-25-20-34(21-26-39)37-23-29-48-44(32-37)51-41-16-8-6-12-35(41)22-30-49(51)55(48)50-31-24-36-13-7-11-19-47(36)53-50/h3-33H,1-2H3
InChIKeyUEAMIQZTPHZOCP-UHFFFAOYSA-N
XLogP13.93
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500703.89
LogP ≤ 513.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-[4-(7-phenylbenzo[c]carbazol-10-yl)phenyl]fluoren-2-amine
CID 70853904
9,9-dimethyl-N-[4-[4-(7-phenylbenzo[c]carbazol-10-yl)phenyl]phenyl]-N-(3-phenylphenyl)fluoren-2-amine
CID 156513111
N-(9,9-dimethylfluoren-2-yl)-N-phenyl-8-(7-phenylbenzo[c]carbazol-10-yl)dibenzothiophen-2-amine
CID 70853892
N-(4-benzo[c]carbazol-7-ylphenyl)-9,9-dimethyl-N-phenylfluoren-2-amine
CID 168771532
9,9-dimethyl-N-[4-[3-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-N-phenylfluoren-2-amine
CID 90393540
9,9-dimethyl-N,N-bis(4-phenanthren-3-ylphenyl)fluoren-2-amine
CID 142614599
9,9-dimethyl-N-[3-[3-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-N-phenylfluoren-2-amine
CID 90393624
N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[4-(7-phenylbenzo[c]carbazol-10-yl)phenyl]fluoren-2-amine
CID 118282673
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 159828144
N-[4-[9-(9,9-dimethylfluoren-2-yl)-6-[4-(N-naphthalen-1-ylanilino)phenyl]carbazol-3-yl]phenyl]-N-phenylnaphthalen-1-amine
CID 137467185
4-N-(9,9-dimethylfluoren-2-yl)-4-N-[9,9-dimethyl-7-(9-naphthalen-1-ylcarbazol-3-yl)fluoren-2-yl]-1-N-naphthalen-1-yl-1-N-phenylbenzene-1,4-diamine
CID 59171720
9,9-dimethyl-N-[4-(6-naphthalen-2-yl-11-phenylbenzo[a]carbazol-8-yl)phenyl]-N-phenylfluoren-2-amine
CID 174306467

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-phenyl-N-[4-(7-quinolin-2-ylbenzo[c]carbazol-10-yl)phenyl]fluoren-2-amine?
The IUPAC name of 9,9-dimethyl-N-phenyl-N-[4-(7-quinolin-2-ylbenzo[c]carbazol-10-yl)phenyl]fluoren-2-amine (CID 70853803) is 9,9-dimethyl-N-phenyl-N-[4-(7-quinolin-2-ylbenzo[c]carbazol-10-yl)phenyl]fluoren-2-amine.
What is the SMILES notation for 9,9-dimethyl-N-phenyl-N-[4-(7-quinolin-2-ylbenzo[c]carbazol-10-yl)phenyl]fluoren-2-amine?
The canonical SMILES for 9,9-dimethyl-N-phenyl-N-[4-(7-quinolin-2-ylbenzo[c]carbazol-10-yl)phenyl]fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5c(c4)c4c6ccccc6ccc4n5-c4ccc5ccccc5n4)cc3)cc21.
What is the InChIKey of 9,9-dimethyl-N-phenyl-N-[4-(7-quinolin-2-ylbenzo[c]carbazol-10-yl)phenyl]fluoren-2-amine?
The InChIKey is UEAMIQZTPHZOCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H37N3/c1-52(2)45-18-10-9-17-42(45)43-28-27-40(33-46(43)52)54(38-14-4-3-5-15-38)39-25-20-34(21-26-39)37-23-29-48-44(32-37)51-41-16-8-6-12-35(41)22-30-49(51)55(48)50-31-24-36-13-7-11-19-47(36)53-50/h3-33H,1-2H3.
What are the key properties of 9,9-dimethyl-N-phenyl-N-[4-(7-quinolin-2-ylbenzo[c]carbazol-10-yl)phenyl]fluoren-2-amine?
9,9-dimethyl-N-phenyl-N-[4-(7-quinolin-2-ylbenzo[c]carbazol-10-yl)phenyl]fluoren-2-amine has a molecular weight of 703.89 g/mol, XLogP of 13.93, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-phenyl-N-[4-(7-quinolin-2-ylbenzo[c]carbazol-10-yl)phenyl]fluoren-2-amine is sourced from PubChem (CID 70853803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).