N-[9-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]carbazol-2-yl]-N-phenyl-9-(4-propan-2-yl-2-pyridinyl)carbazol-2-amine

C53H48N6 — CID 140743331

IUPACN-[9-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]carbazol-2-yl]-N-phenyl-9-(4-propan-2-yl-2-pyridinyl)carbazol-2-amine
SMILESCC(C)c1ccnc(-n2c3ccccc3c3ccc(N(c4ccccc4)c4ccc5c6ccccc6n(-c6nccn6-c6c(C(C)C)cccc6C(C)C)c5c4)cc32)c1
InChIInChI=1S/C53H48N6/c1-34(2)37-27-28-54-51(31-37)58-47-21-12-10-17-43(47)45-25-23-39(32-49(45)58)57(38-15-8-7-9-16-38)40-24-26-46-44-18-11-13-22-48(44)59(50(46)33-40)53-55-29-30-56(53)52-41(35(3)4)19-14-20-42(52)36(5)6/h7-36H,1-6H3
InChIKeySYTZWADYDJCYEI-UHFFFAOYSA-N
MW769.01 g/mol
LogP14.30
Rot. Bonds9

About N-[9-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]carbazol-2-yl]-N-phenyl-9-(4-propan-2-yl-2-pyridinyl)carbazol-2-amine

N-[9-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]carbazol-2-yl]-N-phenyl-9-(4-propan-2-yl-2-pyridinyl)carbazol-2-amine (PubChem CID 140743331) has the molecular formula C53H48N6 and a molecular weight of 769.01 g/mol. Its IUPAC name is N-[9-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]carbazol-2-yl]-N-phenyl-9-(4-propan-2-yl-2-pyridinyl)carbazol-2-amine.

Molecular Properties

Compound NameN-[9-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]carbazol-2-yl]-N-phenyl-9-(4-propan-2-yl-2-pyridinyl)carbazol-2-amine
PubChem CID140743331
Molecular FormulaC53H48N6
Molecular Weight769.01 g/mol
Exact Mass768.39
IUPAC NameN-[9-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]carbazol-2-yl]-N-phenyl-9-(4-propan-2-yl-2-pyridinyl)carbazol-2-amine
SMILESCC(C)c1ccnc(-n2c3ccccc3c3ccc(N(c4ccccc4)c4ccc5c6ccccc6n(-c6nccn6-c6c(C(C)C)cccc6C(C)C)c5c4)cc32)c1
InChIInChI=1S/C53H48N6/c1-34(2)37-27-28-54-51(31-37)58-47-21-12-10-17-43(47)45-25-23-39(32-49(45)58)57(38-15-8-7-9-16-38)40-24-26-46-44-18-11-13-22-48(44)59(50(46)33-40)53-55-29-30-56(53)52-41(35(3)4)19-14-20-42(52)36(5)6/h7-36H,1-6H3
InChIKeySYTZWADYDJCYEI-UHFFFAOYSA-N
XLogP14.30
TPSA43.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500769.01
LogP ≤ 514.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[9-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]carbazol-2-yl]-9-(4-methyl-2-pyridinyl)-N-phenylcarbazol-2-amine
CID 140743408
9-(4-methyl-2-pyridinyl)-N-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]-N-phenylcarbazol-2-amine
CID 140743280
2-bromo-9-(4-propan-2-yl-2-pyridinyl)carbazole
CID 118915707
N-[3-(3-tert-butyl-2H-benzimidazol-1-yl)phenyl]-N-(2,6-diphenylphenyl)-9-(4-propan-2-yl-2-pyridinyl)carbazol-2-amine
CID 155623126
N-[3-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenyl]-3-isoquinolin-1-yl-N-phenylaniline
CID 70654675
CID 172510768
CID 172510768
N-[3-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]phenyl]-N-phenyl-3-(1-phenylimidazol-2-yl)aniline
CID 140594023
9-[2,6-bis[2-(N-phenylanilino)carbazol-9-yl]pyrimidin-4-yl]-N,N-diphenylcarbazol-2-amine
CID 126631519
N-[3-(3-tert-butyl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]-N-phenyl-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-amine;platinum(2+)
CID 167381741
N-phenyl-N-(9-pyridin-2-ylcarbazol-2-yl)tetrazolo[1,5-f]phenanthridin-11-amine
CID 153411467
3-[2-(3-carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]-N,N-diphenylaniline
CID 170132805
5-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]imidazol-2-yl]-[1]benzofuro[3,2-c]carbazole;9-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]imidazol-2-yl]-N,N-diphenylcarbazol-3-amine;11-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]imidazol-2-yl]-5-phenylindolo[3,2-b]carbazole
CID 160591304

Frequently Asked Questions

What is the IUPAC name of N-[9-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]carbazol-2-yl]-N-phenyl-9-(4-propan-2-yl-2-pyridinyl)carbazol-2-amine?
The IUPAC name of N-[9-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]carbazol-2-yl]-N-phenyl-9-(4-propan-2-yl-2-pyridinyl)carbazol-2-amine (CID 140743331) is N-[9-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]carbazol-2-yl]-N-phenyl-9-(4-propan-2-yl-2-pyridinyl)carbazol-2-amine.
What is the SMILES notation for N-[9-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]carbazol-2-yl]-N-phenyl-9-(4-propan-2-yl-2-pyridinyl)carbazol-2-amine?
The canonical SMILES for N-[9-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]carbazol-2-yl]-N-phenyl-9-(4-propan-2-yl-2-pyridinyl)carbazol-2-amine is CC(C)c1ccnc(-n2c3ccccc3c3ccc(N(c4ccccc4)c4ccc5c6ccccc6n(-c6nccn6-c6c(C(C)C)cccc6C(C)C)c5c4)cc32)c1.
What is the InChIKey of N-[9-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]carbazol-2-yl]-N-phenyl-9-(4-propan-2-yl-2-pyridinyl)carbazol-2-amine?
The InChIKey is SYTZWADYDJCYEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H48N6/c1-34(2)37-27-28-54-51(31-37)58-47-21-12-10-17-43(47)45-25-23-39(32-49(45)58)57(38-15-8-7-9-16-38)40-24-26-46-44-18-11-13-22-48(44)59(50(46)33-40)53-55-29-30-56(53)52-41(35(3)4)19-14-20-42(52)36(5)6/h7-36H,1-6H3.
What are the key properties of N-[9-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]carbazol-2-yl]-N-phenyl-9-(4-propan-2-yl-2-pyridinyl)carbazol-2-amine?
N-[9-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]carbazol-2-yl]-N-phenyl-9-(4-propan-2-yl-2-pyridinyl)carbazol-2-amine has a molecular weight of 769.01 g/mol, XLogP of 14.30, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[9-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]carbazol-2-yl]-N-phenyl-9-(4-propan-2-yl-2-pyridinyl)carbazol-2-amine is sourced from PubChem (CID 140743331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).