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

C51H44N6 — CID 140743408

IUPACN-[9-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]carbazol-2-yl]-9-(4-methyl-2-pyridinyl)-N-phenylcarbazol-2-amine
SMILESCc1ccnc(-n2c3ccccc3c3ccc(N(c4ccccc4)c4ccc5c6ccccc6n(-c6nccn6-c6c(C(C)C)cccc6C(C)C)c5c4)cc32)c1
InChIInChI=1S/C51H44N6/c1-33(2)39-18-13-19-40(34(3)4)50(39)54-29-28-53-51(54)57-46-21-12-10-17-42(46)44-25-23-38(32-48(44)57)55(36-14-7-6-8-15-36)37-22-24-43-41-16-9-11-20-45(41)56(47(43)31-37)49-30-35(5)26-27-52-49/h6-34H,1-5H3
InChIKeyDQOABYAJPLULMX-UHFFFAOYSA-N
MW740.96 g/mol
LogP13.49
Rot. Bonds8

About 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

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 (PubChem CID 140743408) has the molecular formula C51H44N6 and a molecular weight of 740.96 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[9-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]carbazol-2-yl]-9-(4-methyl-2-pyridinyl)-N-phenylcarbazol-2-amine
PubChem CID140743408
Molecular FormulaC51H44N6
Molecular Weight740.96 g/mol
Exact Mass740.36
IUPAC NameN-[9-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]carbazol-2-yl]-9-(4-methyl-2-pyridinyl)-N-phenylcarbazol-2-amine
SMILESCc1ccnc(-n2c3ccccc3c3ccc(N(c4ccccc4)c4ccc5c6ccccc6n(-c6nccn6-c6c(C(C)C)cccc6C(C)C)c5c4)cc32)c1
InChIInChI=1S/C51H44N6/c1-33(2)39-18-13-19-40(34(3)4)50(39)54-29-28-53-51(54)57-46-21-12-10-17-42(46)44-25-23-38(32-48(44)57)55(36-14-7-6-8-15-36)37-22-24-43-41-16-9-11-20-45(41)56(47(43)31-37)49-30-35(5)26-27-52-49/h6-34H,1-5H3
InChIKeyDQOABYAJPLULMX-UHFFFAOYSA-N
XLogP13.49
TPSA43.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500740.96
LogP ≤ 513.49
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]-N-phenyl-9-(4-propan-2-yl-2-pyridinyl)carbazol-2-amine
CID 140743331
9-(4-methyl-2-pyridinyl)-N-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]-N-phenylcarbazol-2-amine
CID 140743280
9-(4-methyl-2-pyridinyl)-N-phenyl-N-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]carbazol-2-amine
CID 167382297
9-(4-methyl-2-pyridinyl)-N,14-diphenyl-N-(3-pyridin-2-ylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-amine
CID 140884549
N-[3-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenyl]-3-isoquinolin-1-yl-N-phenylaniline
CID 70654675
N-[3-(4-methyl-2-pyridinyl)phenyl]-N,12-diphenyl-5-pyridin-2-ylindolo[2,3-g]carbazol-3-amine
CID 140884565
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-(4-carbazol-9-ylphenyl)-3-methyl-N-phenylaniline
CID 100915201
9-[4-(2-methylphenyl)-2-pyridinyl]-N-phenyl-N-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]carbazol-2-amine
CID 177276738
CID 172510768
CID 172510768
2-[3-[4-[2,6-di(propan-2-yl)phenyl]-3,5-dimethylpyrazol-1-yl]-5-propan-2-ylphenoxy]-9-(4-methyl-2-pyridinyl)carbazole
CID 153443501

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]-9-(4-methyl-2-pyridinyl)-N-phenylcarbazol-2-amine?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccnc(-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]-9-(4-methyl-2-pyridinyl)-N-phenylcarbazol-2-amine?
The InChIKey is DQOABYAJPLULMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H44N6/c1-33(2)39-18-13-19-40(34(3)4)50(39)54-29-28-53-51(54)57-46-21-12-10-17-42(46)44-25-23-38(32-48(44)57)55(36-14-7-6-8-15-36)37-22-24-43-41-16-9-11-20-45(41)56(47(43)31-37)49-30-35(5)26-27-52-49/h6-34H,1-5H3.
What are the key properties of 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?
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 has a molecular weight of 740.96 g/mol, XLogP of 13.49, 8 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]-9-(4-methyl-2-pyridinyl)-N-phenylcarbazol-2-amine is sourced from PubChem (CID 140743408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).