6-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphthalen-2-amine

C53H38N2 — CID 139500760

IUPAC6-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphthalen-2-amine
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1ccc2cc(N(c3ccccc3)c3ccc(-c4ccc5ccccc5c4)cc3)ccc2c1
InChIInChI=1S/C53H38N2/c1-53(2)49-18-10-8-16-45(49)47-34-52-48(33-50(47)53)46-17-9-11-19-51(46)55(52)44-29-25-39-31-43(28-24-40(39)32-44)54(41-14-4-3-5-15-41)42-26-22-36(23-27-42)38-21-20-35-12-6-7-13-37(35)30-38/h3-34H,1-2H3
InChIKeyZHAPKFNVGSFFBX-UHFFFAOYSA-N
MW702.90 g/mol
LogP14.53
Rot. Bonds5

About 6-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphthalen-2-amine

6-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphthalen-2-amine (PubChem CID 139500760) has the molecular formula C53H38N2 and a molecular weight of 702.90 g/mol. Its IUPAC name is 6-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphthalen-2-amine.

Molecular Properties

Compound Name6-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphthalen-2-amine
PubChem CID139500760
Molecular FormulaC53H38N2
Molecular Weight702.90 g/mol
Exact Mass702.30
IUPAC Name6-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphthalen-2-amine
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1ccc2cc(N(c3ccccc3)c3ccc(-c4ccc5ccccc5c4)cc3)ccc2c1
InChIInChI=1S/C53H38N2/c1-53(2)49-18-10-8-16-45(49)47-34-52-48(33-50(47)53)46-17-9-11-19-51(46)55(52)44-29-25-39-31-43(28-24-40(39)32-44)54(41-14-4-3-5-15-41)42-26-22-36(23-27-42)38-21-20-35-12-6-7-13-37(35)30-38/h3-34H,1-2H3
InChIKeyZHAPKFNVGSFFBX-UHFFFAOYSA-N
XLogP14.53
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500702.90
LogP ≤ 514.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)aniline;4-[4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline
CID 159654715
7-carbazol-9-yl-9,9-dimethyl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-phenylfluoren-2-amine
CID 58390132
4-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphthalen-1-amine;6-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphthalen-2-amine;4-[4-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-N-(4-phenanthren-9-ylphenyl)-N-phenylaniline
CID 161489834
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)-9,9-dimethyl-7-(9-naphthalen-2-ylcarbazol-3-yl)-N-(4-phenylphenyl)fluoren-2-amine
CID 59171726
7,7-dimethyl-5-naphthalen-2-yl-N,N-bis(4-phenylphenyl)indeno[2,1-b]carbazol-3-amine
CID 137385663
7-carbazol-9-yl-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 58389898
3-N-(9,9-dimethylfluoren-2-yl)-5-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-1-N-naphthalen-2-yl-1-N,3-N-diphenylbenzene-1,3-diamine
CID 87174589
7-carbazol-9-yl-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine;4-N,4-N-dinaphthalen-2-yl-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine;N-[4-[4-(4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N,4-diphenylaniline
CID 157400056
7-carbazol-9-yl-9,9-dimethyl-N-(3-naphthalen-2-ylphenyl)-N-phenylfluoren-2-amine
CID 58390006
9,9-dimethyl-N-naphthalen-2-yl-N-[3-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine
CID 90393480
N-(9,9-dimethylfluoren-2-yl)-N-[4-[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]phenyl]-9,9-dimethylfluoren-2-amine
CID 177287627

Frequently Asked Questions

What is the IUPAC name of 6-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphthalen-2-amine?
The IUPAC name of 6-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphthalen-2-amine (CID 139500760) is 6-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphthalen-2-amine.
What is the SMILES notation for 6-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphthalen-2-amine?
The canonical SMILES for 6-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphthalen-2-amine is CC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1ccc2cc(N(c3ccccc3)c3ccc(-c4ccc5ccccc5c4)cc3)ccc2c1.
What is the InChIKey of 6-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphthalen-2-amine?
The InChIKey is ZHAPKFNVGSFFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H38N2/c1-53(2)49-18-10-8-16-45(49)47-34-52-48(33-50(47)53)46-17-9-11-19-51(46)55(52)44-29-25-39-31-43(28-24-40(39)32-44)54(41-14-4-3-5-15-41)42-26-22-36(23-27-42)38-21-20-35-12-6-7-13-37(35)30-38/h3-34H,1-2H3.
What are the key properties of 6-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphthalen-2-amine?
6-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphthalen-2-amine has a molecular weight of 702.90 g/mol, XLogP of 14.53, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphthalen-2-amine is sourced from PubChem (CID 139500760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).