9-[4-[1-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]indol-2-yl]phenyl]carbazole

C48H32N4 — CID 145105553

IUPAC9-[4-[1-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]indol-2-yl]phenyl]carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-n4c(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc5ccccc54)c3)n2)cc1
InChIInChI=1S/C48H32N4/c1-3-14-33(15-4-1)42-32-43(34-16-5-2-6-17-34)50-48(49-42)37-19-13-20-39(30-37)52-44-23-10-7-18-36(44)31-47(52)35-26-28-38(29-27-35)51-45-24-11-8-21-40(45)41-22-9-12-25-46(41)51/h1-32H
InChIKeyKMNWRBUPNKMSTN-UHFFFAOYSA-N
MW664.81 g/mol
LogP12.19
Rot. Bonds6

About 9-[4-[1-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]indol-2-yl]phenyl]carbazole

9-[4-[1-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]indol-2-yl]phenyl]carbazole (PubChem CID 145105553) has the molecular formula C48H32N4 and a molecular weight of 664.81 g/mol. Its IUPAC name is 9-[4-[1-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]indol-2-yl]phenyl]carbazole.

Molecular Properties

Compound Name9-[4-[1-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]indol-2-yl]phenyl]carbazole
PubChem CID145105553
Molecular FormulaC48H32N4
Molecular Weight664.81 g/mol
Exact Mass664.26
IUPAC Name9-[4-[1-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]indol-2-yl]phenyl]carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-n4c(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc5ccccc54)c3)n2)cc1
InChIInChI=1S/C48H32N4/c1-3-14-33(15-4-1)42-32-43(34-16-5-2-6-17-34)50-48(49-42)37-19-13-20-39(30-37)52-44-23-10-7-18-36(44)31-47(52)35-26-28-38(29-27-35)51-45-24-11-8-21-40(45)41-22-9-12-25-46(41)51/h1-32H
InChIKeyKMNWRBUPNKMSTN-UHFFFAOYSA-N
XLogP12.19
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.81
LogP ≤ 512.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[3-[4-(4-carbazol-9-ylphenyl)-6-[4-(3-phenylphenyl)phenyl]pyrimidin-2-yl]phenyl]carbazole
CID 118901397
9-[3-[4-[4-(4-carbazol-9-ylphenyl)phenyl]-6-[4-(3-phenylphenyl)phenyl]pyrimidin-2-yl]phenyl]carbazole
CID 118901389
9-[3-[6-(3-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]carbazole;9-[3-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole;9-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 164988819
9-[4-[2,6-bis[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 126630575
2-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole;2-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole;2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole
CID 157454862
9-[3-[2-[4-(4-carbazol-9-ylphenyl)phenyl]-6-[4-(3-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]carbazole
CID 118901401
9-[4-[4-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]carbazole
CID 130359579
9-[4-[3-(3,5-diphenylphenyl)-5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]phenyl]carbazole;9-[3-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]phenyl]carbazole;9-[4-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]phenyl]carbazole;9-[4-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-5-phenylphenyl]phenyl]carbazole;9-[4-[3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-5-phenylphenyl]phenyl]carbazole;9-[4-[4-[3-(4,6-diphenylpyrimidin-2-yl)-5-phenylphenyl]phenyl]phenyl]carbazole;9-[4-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-5-(4-phenylphenyl)phenyl]phenyl]carbazole
CID 158622941
2-[9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole;2-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole;2-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole;2-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole;2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole;2-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole
CID 159745191
5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-11-(3-phenylphenyl)indolo[3,2-b]carbazole
CID 155240175
2-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-9-(4-naphthalen-1-ylphenyl)carbazole
CID 71286952
10-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-22-phenyl-10,22-diazahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4,6,8,12,14,16,18,20,23-undecaene
CID 122465672

Frequently Asked Questions

What is the IUPAC name of 9-[4-[1-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]indol-2-yl]phenyl]carbazole?
The IUPAC name of 9-[4-[1-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]indol-2-yl]phenyl]carbazole (CID 145105553) is 9-[4-[1-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]indol-2-yl]phenyl]carbazole.
What is the SMILES notation for 9-[4-[1-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]indol-2-yl]phenyl]carbazole?
The canonical SMILES for 9-[4-[1-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]indol-2-yl]phenyl]carbazole is c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-n4c(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc5ccccc54)c3)n2)cc1.
What is the InChIKey of 9-[4-[1-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]indol-2-yl]phenyl]carbazole?
The InChIKey is KMNWRBUPNKMSTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32N4/c1-3-14-33(15-4-1)42-32-43(34-16-5-2-6-17-34)50-48(49-42)37-19-13-20-39(30-37)52-44-23-10-7-18-36(44)31-47(52)35-26-28-38(29-27-35)51-45-24-11-8-21-40(45)41-22-9-12-25-46(41)51/h1-32H.
What are the key properties of 9-[4-[1-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]indol-2-yl]phenyl]carbazole?
9-[4-[1-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]indol-2-yl]phenyl]carbazole has a molecular weight of 664.81 g/mol, XLogP of 12.19, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[1-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]indol-2-yl]phenyl]carbazole is sourced from PubChem (CID 145105553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).