N-[4-[4-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine

C53H38N2 — CID 66585289

IUPACN-[4-[4-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1ccc(-c2ccc(N(c3cccc4ccccc34)c3cccc4ccccc34)cc2)cc1
InChIInChI=1S/C53H38N2/c1-53(2)47-21-9-7-19-43(47)45-34-52-46(33-48(45)53)44-20-8-10-22-51(44)55(52)40-31-27-36(28-32-40)35-25-29-39(30-26-35)54(49-23-11-15-37-13-3-5-17-41(37)49)50-24-12-16-38-14-4-6-18-42(38)50/h3-34H,1-2H3
InChIKeyJQXQHZZDVRWAJD-UHFFFAOYSA-N
MW702.90 g/mol
LogP14.53
Rot. Bonds5

About N-[4-[4-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine

N-[4-[4-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine (PubChem CID 66585289) has the molecular formula C53H38N2 and a molecular weight of 702.90 g/mol. Its IUPAC name is N-[4-[4-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine.

Molecular Properties

Compound NameN-[4-[4-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine
PubChem CID66585289
Molecular FormulaC53H38N2
Molecular Weight702.90 g/mol
Exact Mass702.30
IUPAC NameN-[4-[4-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1ccc(-c2ccc(N(c3cccc4ccccc34)c3cccc4ccccc34)cc2)cc1
InChIInChI=1S/C53H38N2/c1-53(2)47-21-9-7-19-43(47)45-34-52-46(33-48(45)53)44-20-8-10-22-51(44)55(52)40-31-27-36(28-32-40)35-25-29-39(30-26-35)54(49-23-11-15-37-13-3-5-17-41(37)49)50-24-12-16-38-14-4-6-18-42(38)50/h3-34H,1-2H3
InChIKeyJQXQHZZDVRWAJD-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

9,9-dimethyl-N-naphthalen-1-yl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]fluoren-2-amine
CID 71175461
11,11-dimethyl-5-(4-phenylphenyl)indeno[1,2-b]carbazole
CID 58059239
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
9,9-dimethyl-N-naphthalen-1-yl-N-[4-[2-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]fluoren-2-amine
CID 144831028
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
3-[3-[4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]phenyl]-N,N-bis(4-phenylphenyl)aniline
CID 90185823
9,9-dimethyl-N-naphthalen-1-yl-N-[4-[4-(9-phenylcarbazol-4-yl)phenyl]phenyl]fluoren-2-amine
CID 155205825
N-[4-(4-carbazol-9-ylphenyl)phenyl]-9,9-dimethyl-N-naphthalen-1-yl-7-(9-phenylcarbazol-3-yl)fluoren-2-amine
CID 138710344
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
7,7-dimethyl-2-(9-naphthalen-1-ylcarbazol-3-yl)-5-(4-phenylphenyl)indeno[2,1-b]carbazole;11,11-dimethyl-2-(9-naphthalen-1-ylcarbazol-3-yl)-5-(4-phenylphenyl)indeno[1,2-b]carbazole
CID 160620508
7-carbazol-9-yl-9,9-dimethyl-N-naphthalen-1-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 71038303
N-[3-[3-[4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 90185797

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine?
The IUPAC name of N-[4-[4-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine (CID 66585289) is N-[4-[4-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine.
What is the SMILES notation for N-[4-[4-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine?
The canonical SMILES for N-[4-[4-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine is CC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1ccc(-c2ccc(N(c3cccc4ccccc34)c3cccc4ccccc34)cc2)cc1.
What is the InChIKey of N-[4-[4-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine?
The InChIKey is JQXQHZZDVRWAJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H38N2/c1-53(2)47-21-9-7-19-43(47)45-34-52-46(33-48(45)53)44-20-8-10-22-51(44)55(52)40-31-27-36(28-32-40)35-25-29-39(30-26-35)54(49-23-11-15-37-13-3-5-17-41(37)49)50-24-12-16-38-14-4-6-18-42(38)50/h3-34H,1-2H3.
What are the key properties of N-[4-[4-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine?
N-[4-[4-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-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 N-[4-[4-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine is sourced from PubChem (CID 66585289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).