N-(9,9-dimethylfluoren-2-yl)-5-naphthalen-2-yl-9-phenyl-N-(2-phenylphenyl)carbazol-2-amine

C55H40N2 — CID 169009612

IUPACN-(9,9-dimethylfluoren-2-yl)-5-naphthalen-2-yl-9-phenyl-N-(2-phenylphenyl)carbazol-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c5c(-c6ccc7ccccc7c6)cccc5n(-c5ccccc5)c4c3)c3ccccc3-c3ccccc3)cc21
InChIInChI=1S/C55H40N2/c1-55(2)49-25-13-11-23-46(49)47-32-30-42(35-50(47)55)56(51-26-14-12-22-44(51)38-17-5-3-6-18-38)43-31-33-48-53(36-43)57(41-20-7-4-8-21-41)52-27-15-24-45(54(48)52)40-29-28-37-16-9-10-19-39(37)34-40/h3-36H,1-2H3
InChIKeyMSCVLSFVQHDFTI-UHFFFAOYSA-N
MW728.94 g/mol
LogP15.05
Rot. Bonds6

About N-(9,9-dimethylfluoren-2-yl)-5-naphthalen-2-yl-9-phenyl-N-(2-phenylphenyl)carbazol-2-amine

N-(9,9-dimethylfluoren-2-yl)-5-naphthalen-2-yl-9-phenyl-N-(2-phenylphenyl)carbazol-2-amine (PubChem CID 169009612) has the molecular formula C55H40N2 and a molecular weight of 728.94 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-5-naphthalen-2-yl-9-phenyl-N-(2-phenylphenyl)carbazol-2-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-5-naphthalen-2-yl-9-phenyl-N-(2-phenylphenyl)carbazol-2-amine
PubChem CID169009612
Molecular FormulaC55H40N2
Molecular Weight728.94 g/mol
Exact Mass728.32
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-5-naphthalen-2-yl-9-phenyl-N-(2-phenylphenyl)carbazol-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c5c(-c6ccc7ccccc7c6)cccc5n(-c5ccccc5)c4c3)c3ccccc3-c3ccccc3)cc21
InChIInChI=1S/C55H40N2/c1-55(2)49-25-13-11-23-46(49)47-32-30-42(35-50(47)55)56(51-26-14-12-22-44(51)38-17-5-3-6-18-38)43-31-33-48-53(36-43)57(41-20-7-4-8-21-41)52-27-15-24-45(54(48)52)40-29-28-37-16-9-10-19-39(37)34-40/h3-36H,1-2H3
InChIKeyMSCVLSFVQHDFTI-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

5-naphthalen-2-yl-9-phenyl-N-(4-phenylnaphthalen-1-yl)-N-(2-phenylphenyl)carbazol-2-amine
CID 169010505
9,9-dimethyl-N-naphthalen-1-yl-N-[4-[2-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]fluoren-2-amine
CID 144831028
9,9-dimethyl-N-naphthalen-2-yl-N-[4-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]fluoren-2-amine
CID 118034735
9,9-dimethyl-N-naphthalen-1-yl-N-[4-[4-(9-phenylcarbazol-4-yl)phenyl]phenyl]fluoren-2-amine
CID 155205825
N-(9,9-dimethylfluoren-2-yl)-5-phenyl-N-(4-phenylphenyl)benzo[b]carbazol-1-amine
CID 155034701
2-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170304323
N,N-bis(9,9-dimethylfluoren-2-yl)-7-naphthalen-2-ylbenzo[c]carbazol-4-amine;N-(4-naphthalen-1-ylphenyl)-7-phenyl-N-(4-phenylphenyl)benzo[c]carbazol-4-amine;7-phenyl-N,N-bis(4-phenylphenyl)benzo[c]carbazol-4-amine
CID 165076345
N-(9,9-dimethyl-7-phenylfluoren-2-yl)-5,9-diphenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 169009715
N-(2,4-diphenylphenyl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]fluoren-2-amine
CID 155138309
N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-2,9-diphenylcarbazol-3-amine
CID 165155424
2-(9,9-dimethylfluoren-2-yl)-N-[3-(9-phenylcarbazol-2-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170304314
9,9-dimethyl-N-naphthalen-2-yl-N-[3-(9-phenylcarbazol-2-yl)phenyl]fluoren-2-amine
CID 129085046

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-5-naphthalen-2-yl-9-phenyl-N-(2-phenylphenyl)carbazol-2-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-5-naphthalen-2-yl-9-phenyl-N-(2-phenylphenyl)carbazol-2-amine (CID 169009612) is N-(9,9-dimethylfluoren-2-yl)-5-naphthalen-2-yl-9-phenyl-N-(2-phenylphenyl)carbazol-2-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-5-naphthalen-2-yl-9-phenyl-N-(2-phenylphenyl)carbazol-2-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-5-naphthalen-2-yl-9-phenyl-N-(2-phenylphenyl)carbazol-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c5c(-c6ccc7ccccc7c6)cccc5n(-c5ccccc5)c4c3)c3ccccc3-c3ccccc3)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-5-naphthalen-2-yl-9-phenyl-N-(2-phenylphenyl)carbazol-2-amine?
The InChIKey is MSCVLSFVQHDFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H40N2/c1-55(2)49-25-13-11-23-46(49)47-32-30-42(35-50(47)55)56(51-26-14-12-22-44(51)38-17-5-3-6-18-38)43-31-33-48-53(36-43)57(41-20-7-4-8-21-41)52-27-15-24-45(54(48)52)40-29-28-37-16-9-10-19-39(37)34-40/h3-36H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-5-naphthalen-2-yl-9-phenyl-N-(2-phenylphenyl)carbazol-2-amine?
N-(9,9-dimethylfluoren-2-yl)-5-naphthalen-2-yl-9-phenyl-N-(2-phenylphenyl)carbazol-2-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)-5-naphthalen-2-yl-9-phenyl-N-(2-phenylphenyl)carbazol-2-amine is sourced from PubChem (CID 169009612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).