N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-9-phenyl-4-(3-phenylphenyl)carbazol-3-amine

C55H40N2 — CID 165155399

IUPACN-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-9-phenyl-4-(3-phenylphenyl)carbazol-3-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4ccccc4c3)c3ccc4c(c3-c3cccc(-c5ccccc5)c3)c3ccccc3n4-c3ccccc3)cc21
InChIInChI=1S/C55H40N2/c1-55(2)48-26-13-11-24-45(48)46-31-30-44(36-49(46)55)56(43-29-28-38-18-9-10-19-40(38)35-43)51-32-33-52-54(47-25-12-14-27-50(47)57(52)42-22-7-4-8-23-42)53(51)41-21-15-20-39(34-41)37-16-5-3-6-17-37/h3-36H,1-2H3
InChIKeyZLHKRSOQOCWHBG-UHFFFAOYSA-N
MW728.94 g/mol
LogP15.05
Rot. Bonds6

About N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-9-phenyl-4-(3-phenylphenyl)carbazol-3-amine

N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-9-phenyl-4-(3-phenylphenyl)carbazol-3-amine (PubChem CID 165155399) has the molecular formula C55H40N2 and a molecular weight of 728.94 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-9-phenyl-4-(3-phenylphenyl)carbazol-3-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-9-phenyl-4-(3-phenylphenyl)carbazol-3-amine
PubChem CID165155399
Molecular FormulaC55H40N2
Molecular Weight728.94 g/mol
Exact Mass728.32
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-9-phenyl-4-(3-phenylphenyl)carbazol-3-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4ccccc4c3)c3ccc4c(c3-c3cccc(-c5ccccc5)c3)c3ccccc3n4-c3ccccc3)cc21
InChIInChI=1S/C55H40N2/c1-55(2)48-26-13-11-24-45(48)46-31-30-44(36-49(46)55)56(43-29-28-38-18-9-10-19-40(38)35-43)51-32-33-52-54(47-25-12-14-27-50(47)57(52)42-22-7-4-8-23-42)53(51)41-21-15-20-39(34-41)37-16-5-3-6-17-37/h3-36H,1-2H3
InChIKeyZLHKRSOQOCWHBG-UHFFFAOYSA-N
XLogP15.05
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500728.94
LogP ≤ 515.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9,9-dimethyl-N-naphthalen-2-yl-N-[3-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine
CID 90393480
N-[4-[3,5-bis(9-phenylcarbazol-3-yl)phenyl]phenyl]-9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine
CID 118289290
9,9-dimethyl-N-naphthalen-1-yl-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-naphthalen-2-yl-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine
CID 159884848
9,9-dimethyl-N-naphthalen-1-yl-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-naphthalen-2-yl-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylnaphthalen-1-yl)fluoren-2-amine;9,9-dimethyl-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(6-phenylnaphthalen-2-yl)fluoren-2-amine;9,9-dimethyl-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine
CID 161026031
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-[4-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-naphthalen-2-yl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine
CID 161470218
N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-1,9-diphenylcarbazol-2-amine
CID 165155385
N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-1,9-diphenylcarbazol-4-amine
CID 165155491
N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-2,9-diphenylcarbazol-3-amine
CID 165155424
N-[4-(3-carbazol-9-ylphenyl)phenyl]-9,9-dimethyl-N-(1-phenylnaphthalen-2-yl)fluoren-2-amine
CID 166048517
9,9-dimethyl-N-naphthalen-2-yl-N-[3-(9-phenylcarbazol-2-yl)phenyl]fluoren-2-amine
CID 129085046
9,9-dimethyl-N-naphthalen-1-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 162198244
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]fluoren-2-amine
CID 176878096

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-9-phenyl-4-(3-phenylphenyl)carbazol-3-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-9-phenyl-4-(3-phenylphenyl)carbazol-3-amine (CID 165155399) is N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-9-phenyl-4-(3-phenylphenyl)carbazol-3-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-9-phenyl-4-(3-phenylphenyl)carbazol-3-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-9-phenyl-4-(3-phenylphenyl)carbazol-3-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4ccccc4c3)c3ccc4c(c3-c3cccc(-c5ccccc5)c3)c3ccccc3n4-c3ccccc3)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-9-phenyl-4-(3-phenylphenyl)carbazol-3-amine?
The InChIKey is ZLHKRSOQOCWHBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H40N2/c1-55(2)48-26-13-11-24-45(48)46-31-30-44(36-49(46)55)56(43-29-28-38-18-9-10-19-40(38)35-43)51-32-33-52-54(47-25-12-14-27-50(47)57(52)42-22-7-4-8-23-42)53(51)41-21-15-20-39(34-41)37-16-5-3-6-17-37/h3-36H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-9-phenyl-4-(3-phenylphenyl)carbazol-3-amine?
N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-9-phenyl-4-(3-phenylphenyl)carbazol-3-amine has a molecular weight of 728.94 g/mol, XLogP of 15.05, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-9-phenyl-4-(3-phenylphenyl)carbazol-3-amine is sourced from PubChem (CID 165155399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).