9-[4-(2,3-diphenylimidazo[1,2-a]pyrimidin-6-yl)phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine

C60H42N6 — CID 162149863

IUPAC9-[4-(2,3-diphenylimidazo[1,2-a]pyrimidin-6-yl)phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine
SMILESc1ccc(-c2nc3ncc(-c4ccc(-n5c6ccc(N(c7ccccc7)c7ccccc7)cc6c6cc(N(c7ccccc7)c7ccccc7)ccc65)cc4)cn3c2-c2ccccc2)cc1
InChIInChI=1S/C60H42N6/c1-7-19-44(20-8-1)58-59(45-21-9-2-10-22-45)63-42-46(41-61-60(63)62-58)43-31-33-51(34-32-43)66-56-37-35-52(64(47-23-11-3-12-24-47)48-25-13-4-14-26-48)39-54(56)55-40-53(36-38-57(55)66)65(49-27-15-5-16-28-49)50-29-17-6-18-30-50/h1-42H
InChIKeyBLPTUXYPZUVMKN-UHFFFAOYSA-N
MW847.04 g/mol
LogP15.77
Rot. Bonds10

About 9-[4-(2,3-diphenylimidazo[1,2-a]pyrimidin-6-yl)phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine

9-[4-(2,3-diphenylimidazo[1,2-a]pyrimidin-6-yl)phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine (PubChem CID 162149863) has the molecular formula C60H42N6 and a molecular weight of 847.04 g/mol. Its IUPAC name is 9-[4-(2,3-diphenylimidazo[1,2-a]pyrimidin-6-yl)phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine.

Molecular Properties

Compound Name9-[4-(2,3-diphenylimidazo[1,2-a]pyrimidin-6-yl)phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine
PubChem CID162149863
Molecular FormulaC60H42N6
Molecular Weight847.04 g/mol
Exact Mass846.35
IUPAC Name9-[4-(2,3-diphenylimidazo[1,2-a]pyrimidin-6-yl)phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine
SMILESc1ccc(-c2nc3ncc(-c4ccc(-n5c6ccc(N(c7ccccc7)c7ccccc7)cc6c6cc(N(c7ccccc7)c7ccccc7)ccc65)cc4)cn3c2-c2ccccc2)cc1
InChIInChI=1S/C60H42N6/c1-7-19-44(20-8-1)58-59(45-21-9-2-10-22-45)63-42-46(41-61-60(63)62-58)43-31-33-51(34-32-43)66-56-37-35-52(64(47-23-11-3-12-24-47)48-25-13-4-14-26-48)39-54(56)55-40-53(36-38-57(55)66)65(49-27-15-5-16-28-49)50-29-17-6-18-30-50/h1-42H
InChIKeyBLPTUXYPZUVMKN-UHFFFAOYSA-N
XLogP15.77
TPSA41.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500847.04
LogP ≤ 515.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

9-[4-(2,3-diphenylimidazo[1,2-a]pyrimidin-6-yl)phenyl]-N,N-diphenylcarbazol-3-amine
CID 162149861
9-[4-(2,3-diphenylimidazo[1,2-a]pyrimidin-6-yl)phenyl]-3,6-dimethylcarbazole
CID 161395332
N-(4-carbazol-9-ylphenyl)-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine
CID 129061469
N-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-4-[3-[4-(N-[4-(3,6-dimethylcarbazol-9-yl)phenyl]anilino)phenyl]-5,6-diphenylpyrazin-2-yl]-N-phenylaniline
CID 118029528
N-[4-[3,6-bis(3-phenylphenyl)carbazol-9-yl]phenyl]-4-[3-[4-(N-[4-[3,6-bis(3-phenylphenyl)carbazol-9-yl]phenyl]anilino)phenyl]quinoxalin-2-yl]-N-phenylaniline
CID 59259835
9-phenyl-N-[4-[4-[N-(9-phenylcarbazol-3-yl)-3-(3-phenylimidazo[1,2-a]pyridin-2-yl)anilino]phenyl]phenyl]-N-[3-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]carbazol-3-amine
CID 167376746
N-phenyl-4-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]-N-[4-(3-phenylquinoxalin-2-yl)phenyl]aniline
CID 59489315
N-phenyl-4-(4-phenylphenyl)-N-[4-[6-phenyl-9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]phenyl]aniline
CID 122524703
9-(2,3-diphenylimidazo[1,2-a]pyrimidin-6-yl)carbazole
CID 160731733
N,9-diphenyl-N-[4-(3-phenylpyrazin-2-yl)phenyl]carbazol-3-amine
CID 58921964
1-N,3-N-bis[4-[4-[3,6-bis(4-phenylphenyl)carbazol-9-yl]phenyl]phenyl]-1-N,3-N-diphenylbenzene-1,3-diamine
CID 59816026
N,9-diphenyl-N-[9-[4-[4-[4-[3-(N-(9-phenylcarbazol-3-yl)anilino)carbazol-9-yl]phenyl]phenyl]phenyl]carbazol-3-yl]carbazol-3-amine
CID 172537472

Frequently Asked Questions

What is the IUPAC name of 9-[4-(2,3-diphenylimidazo[1,2-a]pyrimidin-6-yl)phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine?
The IUPAC name of 9-[4-(2,3-diphenylimidazo[1,2-a]pyrimidin-6-yl)phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine (CID 162149863) is 9-[4-(2,3-diphenylimidazo[1,2-a]pyrimidin-6-yl)phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine.
What is the SMILES notation for 9-[4-(2,3-diphenylimidazo[1,2-a]pyrimidin-6-yl)phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine?
The canonical SMILES for 9-[4-(2,3-diphenylimidazo[1,2-a]pyrimidin-6-yl)phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine is c1ccc(-c2nc3ncc(-c4ccc(-n5c6ccc(N(c7ccccc7)c7ccccc7)cc6c6cc(N(c7ccccc7)c7ccccc7)ccc65)cc4)cn3c2-c2ccccc2)cc1.
What is the InChIKey of 9-[4-(2,3-diphenylimidazo[1,2-a]pyrimidin-6-yl)phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine?
The InChIKey is BLPTUXYPZUVMKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H42N6/c1-7-19-44(20-8-1)58-59(45-21-9-2-10-22-45)63-42-46(41-61-60(63)62-58)43-31-33-51(34-32-43)66-56-37-35-52(64(47-23-11-3-12-24-47)48-25-13-4-14-26-48)39-54(56)55-40-53(36-38-57(55)66)65(49-27-15-5-16-28-49)50-29-17-6-18-30-50/h1-42H.
What are the key properties of 9-[4-(2,3-diphenylimidazo[1,2-a]pyrimidin-6-yl)phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine?
9-[4-(2,3-diphenylimidazo[1,2-a]pyrimidin-6-yl)phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine has a molecular weight of 847.04 g/mol, XLogP of 15.77, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(2,3-diphenylimidazo[1,2-a]pyrimidin-6-yl)phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine is sourced from PubChem (CID 162149863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).