9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-[9-[4-[3-[6-phenyl-2-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]phenyl]carbazol-3-yl]carbazole

C104H66N8 — CID 170096012

IUPAC9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-[9-[4-[3-[6-phenyl-2-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]phenyl]carbazol-3-yl]carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc(-c7cccc(-c8cc(-c9ccccc9)nc(-c9ccc(-n%10c%11ccccc%11c%11ccc(-c%12ccc%13c(c%12)c%12ccccc%12n%13-c%12ccccc%12)cc%11%10)cc9)n8)c7)cc6)ccc54)cc3)n2)cc1
InChIInChI=1S/C104H66N8/c1-5-22-68(23-6-1)91-65-92(69-24-7-2-8-25-69)106-103(105-91)71-42-52-81(53-43-71)111-98-39-20-16-35-86(98)89-62-75(48-58-101(89)111)74-47-57-100-88(61-74)85-34-15-19-38-97(85)110(100)80-50-40-67(41-51-80)73-28-21-29-78(60-73)94-66-93(70-26-9-3-10-27-70)107-104(108-94)72-44-54-82(55-45-72)112-95-36-17-13-32-83(95)87-56-46-77(64-102(87)112)76-49-59-99-90(63-76)84-33-14-18-37-96(84)109(99)79-30-11-4-12-31-79/h1-66H
InChIKeyGPLPVLQNVCDWQS-UHFFFAOYSA-N
MW1427.73 g/mol
LogP26.66
Rot. Bonds13

About 9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-[9-[4-[3-[6-phenyl-2-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]phenyl]carbazol-3-yl]carbazole

9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-[9-[4-[3-[6-phenyl-2-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]phenyl]carbazol-3-yl]carbazole (PubChem CID 170096012) has the molecular formula C104H66N8 and a molecular weight of 1427.73 g/mol. Its IUPAC name is 9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-[9-[4-[3-[6-phenyl-2-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]phenyl]carbazol-3-yl]carbazole.

Molecular Properties

Compound Name9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-[9-[4-[3-[6-phenyl-2-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]phenyl]carbazol-3-yl]carbazole
PubChem CID170096012
Molecular FormulaC104H66N8
Molecular Weight1427.73 g/mol
Exact Mass1426.54
IUPAC Name9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-[9-[4-[3-[6-phenyl-2-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]phenyl]carbazol-3-yl]carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc(-c7cccc(-c8cc(-c9ccccc9)nc(-c9ccc(-n%10c%11ccccc%11c%11ccc(-c%12ccc%13c(c%12)c%12ccccc%12n%13-c%12ccccc%12)cc%11%10)cc9)n8)c7)cc6)ccc54)cc3)n2)cc1
InChIInChI=1S/C104H66N8/c1-5-22-68(23-6-1)91-65-92(69-24-7-2-8-25-69)106-103(105-91)71-42-52-81(53-43-71)111-98-39-20-16-35-86(98)89-62-75(48-58-101(89)111)74-47-57-100-88(61-74)85-34-15-19-38-97(85)110(100)80-50-40-67(41-51-80)73-28-21-29-78(60-73)94-66-93(70-26-9-3-10-27-70)107-104(108-94)72-44-54-82(55-45-72)112-95-36-17-13-32-83(95)87-56-46-77(64-102(87)112)76-49-59-99-90(63-76)84-33-14-18-37-96(84)109(99)79-30-11-4-12-31-79/h1-66H
InChIKeyGPLPVLQNVCDWQS-UHFFFAOYSA-N
XLogP26.66
TPSA71.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms112
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001427.73
LogP ≤ 526.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-[9-[4-[3-[6-phenyl-2-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]phenyl]carbazol-3-yl]carbazole with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-[9-[4-[3-[6-phenyl-2-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]phenyl]carbazol-3-yl]carbazole?
The IUPAC name of 9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-[9-[4-[3-[6-phenyl-2-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]phenyl]carbazol-3-yl]carbazole (CID 170096012) is 9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-[9-[4-[3-[6-phenyl-2-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]phenyl]carbazol-3-yl]carbazole.
What is the SMILES notation for 9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-[9-[4-[3-[6-phenyl-2-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]phenyl]carbazol-3-yl]carbazole?
The canonical SMILES for 9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-[9-[4-[3-[6-phenyl-2-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]phenyl]carbazol-3-yl]carbazole is c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc(-c7cccc(-c8cc(-c9ccccc9)nc(-c9ccc(-n%10c%11ccccc%11c%11ccc(-c%12ccc%13c(c%12)c%12ccccc%12n%13-c%12ccccc%12)cc%11%10)cc9)n8)c7)cc6)ccc54)cc3)n2)cc1.
What is the InChIKey of 9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-[9-[4-[3-[6-phenyl-2-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]phenyl]carbazol-3-yl]carbazole?
The InChIKey is GPLPVLQNVCDWQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C104H66N8/c1-5-22-68(23-6-1)91-65-92(69-24-7-2-8-25-69)106-103(105-91)71-42-52-81(53-43-71)111-98-39-20-16-35-86(98)89-62-75(48-58-101(89)111)74-47-57-100-88(61-74)85-34-15-19-38-97(85)110(100)80-50-40-67(41-51-80)73-28-21-29-78(60-73)94-66-93(70-26-9-3-10-27-70)107-104(108-94)72-44-54-82(55-45-72)112-95-36-17-13-32-83(95)87-56-46-77(64-102(87)112)76-49-59-99-90(63-76)84-33-14-18-37-96(84)109(99)79-30-11-4-12-31-79/h1-66H.
What are the key properties of 9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-[9-[4-[3-[6-phenyl-2-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]phenyl]carbazol-3-yl]carbazole?
9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-[9-[4-[3-[6-phenyl-2-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]phenyl]carbazol-3-yl]carbazole has a molecular weight of 1427.73 g/mol, XLogP of 26.66, 13 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-[9-[4-[3-[6-phenyl-2-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]phenyl]carbazol-3-yl]carbazole is sourced from PubChem (CID 170096012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).