9-[2-(2-adamantyl)phenyl]-1-methyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)carbazol-4-amine

C53H46N2 — CID 158992271

IUPAC9-[2-(2-adamantyl)phenyl]-1-methyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)carbazol-4-amine
SMILESCc1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccccc2-c2ccccc2)c2c3ccccc3n(-c3ccccc3C3C4CC5CC(C4)CC3C5)c12
InChIInChI=1S/C53H46N2/c1-35-24-29-50(54(43-27-25-39(26-28-43)38-14-4-2-5-15-38)47-21-11-8-18-44(47)40-16-6-3-7-17-40)52-46-20-10-13-23-49(46)55(53(35)52)48-22-12-9-19-45(48)51-41-31-36-30-37(33-41)34-42(51)32-36/h2-29,36-37,41-42,51H,30-34H2,1H3
InChIKeyMVVKMYKVEXHQIN-UHFFFAOYSA-N
MW710.97 g/mol
LogP14.44
Rot. Bonds7

About 9-[2-(2-adamantyl)phenyl]-1-methyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)carbazol-4-amine

9-[2-(2-adamantyl)phenyl]-1-methyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)carbazol-4-amine (PubChem CID 158992271) has the molecular formula C53H46N2 and a molecular weight of 710.97 g/mol. Its IUPAC name is 9-[2-(2-adamantyl)phenyl]-1-methyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)carbazol-4-amine.

Molecular Properties

Compound Name9-[2-(2-adamantyl)phenyl]-1-methyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)carbazol-4-amine
PubChem CID158992271
Molecular FormulaC53H46N2
Molecular Weight710.97 g/mol
Exact Mass710.37
IUPAC Name9-[2-(2-adamantyl)phenyl]-1-methyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)carbazol-4-amine
SMILESCc1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccccc2-c2ccccc2)c2c3ccccc3n(-c3ccccc3C3C4CC5CC(C4)CC3C5)c12
InChIInChI=1S/C53H46N2/c1-35-24-29-50(54(43-27-25-39(26-28-43)38-14-4-2-5-15-38)47-21-11-8-18-44(47)40-16-6-3-7-17-40)52-46-20-10-13-23-49(46)55(53(35)52)48-22-12-9-19-45(48)51-41-31-36-30-37(33-41)34-42(51)32-36/h2-29,36-37,41-42,51H,30-34H2,1H3
InChIKeyMVVKMYKVEXHQIN-UHFFFAOYSA-N
XLogP14.44
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500710.97
LogP ≤ 514.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-[2-(2-adamantyl)phenyl]-1-methyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)carbazol-4-amine;N,N-bis(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene-13,2'-adamantane]-9-amine;N-(4-dibenzofuran-3-ylphenyl)-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene-13,2'-adamantane]-9-amine
CID 158992270
N-(2-phenylphenyl)-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene-13,2'-adamantane]-9-amine
CID 157218624
2-(2-adamantyl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 138667897
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-2-(4-phenylphenyl)aniline
CID 142416169
N,N-bis[4-(2-carbazol-9-ylphenyl)phenyl]-2-phenylaniline
CID 142416181
N-(2-carbazol-9-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 172502297
N-[4-(2-benzo[c]carbazol-7-ylphenyl)phenyl]-2-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 166897163
2-(4-carbazol-9-ylphenyl)-N,N-bis(4-phenylphenyl)aniline
CID 121329642
N-[4-(2-carbazol-9-ylphenyl)naphthalen-1-yl]-4-phenyl-N-(4-phenylphenyl)naphthalen-1-amine
CID 167227701
13-N,28-N-diphenyl-13-N,28-N-bis(2-phenylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine;13-N,13-N,28-N,28-N-tetrakis(2-methyl-5-phenylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine;13-N,13-N,28-N,28-N-tetrakis(3,4,5-trimethylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine
CID 160848639
7-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)benzo[c]carbazol-5-amine
CID 145362464
N-[4-(2-benzo[b]carbazol-5-ylphenyl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
CID 134380684

Frequently Asked Questions

What is the IUPAC name of 9-[2-(2-adamantyl)phenyl]-1-methyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)carbazol-4-amine?
The IUPAC name of 9-[2-(2-adamantyl)phenyl]-1-methyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)carbazol-4-amine (CID 158992271) is 9-[2-(2-adamantyl)phenyl]-1-methyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)carbazol-4-amine.
What is the SMILES notation for 9-[2-(2-adamantyl)phenyl]-1-methyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)carbazol-4-amine?
The canonical SMILES for 9-[2-(2-adamantyl)phenyl]-1-methyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)carbazol-4-amine is Cc1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccccc2-c2ccccc2)c2c3ccccc3n(-c3ccccc3C3C4CC5CC(C4)CC3C5)c12.
What is the InChIKey of 9-[2-(2-adamantyl)phenyl]-1-methyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)carbazol-4-amine?
The InChIKey is MVVKMYKVEXHQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H46N2/c1-35-24-29-50(54(43-27-25-39(26-28-43)38-14-4-2-5-15-38)47-21-11-8-18-44(47)40-16-6-3-7-17-40)52-46-20-10-13-23-49(46)55(53(35)52)48-22-12-9-19-45(48)51-41-31-36-30-37(33-41)34-42(51)32-36/h2-29,36-37,41-42,51H,30-34H2,1H3.
What are the key properties of 9-[2-(2-adamantyl)phenyl]-1-methyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)carbazol-4-amine?
9-[2-(2-adamantyl)phenyl]-1-methyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)carbazol-4-amine has a molecular weight of 710.97 g/mol, XLogP of 14.44, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(2-adamantyl)phenyl]-1-methyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)carbazol-4-amine is sourced from PubChem (CID 158992271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).