3-carbazol-9-yl-5-[4-[4-[3-[9-[5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazol-11-yl]carbazol-3-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole

C102H62N10 — CID 155477643

IUPAC3-carbazol-9-yl-5-[4-[4-[3-[9-[5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazol-11-yl]carbazol-3-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
SMILESc1ccc(-c2nc(-c3ccc(-n4c5cc(-n6c7ccccc7c7ccccc76)ccc5c5cc6ccccc6cc54)cc3)nc(-c3cccc(-c4ccc5c(c4)c4ccccc4n5-c4c5ccccc5cc5c4c4ccccc4n5-c4cccc5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc45)c3)n2)cc1
InChIInChI=1S/C102H62N10/c1-4-24-64(25-5-1)97-103-98(65-26-6-2-7-27-65)107-102(106-97)74-47-46-63-33-23-45-90(83(63)59-74)111-89-44-21-17-40-82(89)95-94(111)61-72-32-12-13-36-77(72)96(95)112-88-43-20-16-39-80(88)84-58-71(50-55-91(84)112)68-34-22-35-73(56-68)101-105-99(66-28-8-3-9-29-66)104-100(108-101)67-48-51-75(52-49-67)109-92-60-70-31-11-10-30-69(70)57-85(92)81-54-53-76(62-93(81)109)110-86-41-18-14-37-78(86)79-38-15-19-42-87(79)110/h1-62H
InChIKeyCCDAFCQRXJIONQ-UHFFFAOYSA-N
MW1427.69 g/mol
LogP25.57
Rot. Bonds11

About 3-carbazol-9-yl-5-[4-[4-[3-[9-[5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazol-11-yl]carbazol-3-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole

3-carbazol-9-yl-5-[4-[4-[3-[9-[5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazol-11-yl]carbazol-3-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole (PubChem CID 155477643) has the molecular formula C102H62N10 and a molecular weight of 1427.69 g/mol. Its IUPAC name is 3-carbazol-9-yl-5-[4-[4-[3-[9-[5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazol-11-yl]carbazol-3-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole.

Molecular Properties

Compound Name3-carbazol-9-yl-5-[4-[4-[3-[9-[5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazol-11-yl]carbazol-3-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
PubChem CID155477643
Molecular FormulaC102H62N10
Molecular Weight1427.69 g/mol
Exact Mass1426.52
IUPAC Name3-carbazol-9-yl-5-[4-[4-[3-[9-[5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazol-11-yl]carbazol-3-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
SMILESc1ccc(-c2nc(-c3ccc(-n4c5cc(-n6c7ccccc7c7ccccc76)ccc5c5cc6ccccc6cc54)cc3)nc(-c3cccc(-c4ccc5c(c4)c4ccccc4n5-c4c5ccccc5cc5c4c4ccccc4n5-c4cccc5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc45)c3)n2)cc1
InChIInChI=1S/C102H62N10/c1-4-24-64(25-5-1)97-103-98(65-26-6-2-7-27-65)107-102(106-97)74-47-46-63-33-23-45-90(83(63)59-74)111-89-44-21-17-40-82(89)95-94(111)61-72-32-12-13-36-77(72)96(95)112-88-43-20-16-39-80(88)84-58-71(50-55-91(84)112)68-34-22-35-73(56-68)101-105-99(66-28-8-3-9-29-66)104-100(108-101)67-48-51-75(52-49-67)109-92-60-70-31-11-10-30-69(70)57-85(92)81-54-53-76(62-93(81)109)110-86-41-18-14-37-78(86)79-38-15-19-42-87(79)110/h1-62H
InChIKeyCCDAFCQRXJIONQ-UHFFFAOYSA-N
XLogP25.57
TPSA97.06 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms112
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001427.69
LogP ≤ 525.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 3-carbazol-9-yl-5-[4-[4-[3-[9-[5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazol-11-yl]carbazol-3-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-5-[4-[4-[3-[9-[5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazol-11-yl]carbazol-3-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole?
The IUPAC name of 3-carbazol-9-yl-5-[4-[4-[3-[9-[5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazol-11-yl]carbazol-3-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole (CID 155477643) is 3-carbazol-9-yl-5-[4-[4-[3-[9-[5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazol-11-yl]carbazol-3-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole.
What is the SMILES notation for 3-carbazol-9-yl-5-[4-[4-[3-[9-[5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazol-11-yl]carbazol-3-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole?
The canonical SMILES for 3-carbazol-9-yl-5-[4-[4-[3-[9-[5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazol-11-yl]carbazol-3-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole is c1ccc(-c2nc(-c3ccc(-n4c5cc(-n6c7ccccc7c7ccccc76)ccc5c5cc6ccccc6cc54)cc3)nc(-c3cccc(-c4ccc5c(c4)c4ccccc4n5-c4c5ccccc5cc5c4c4ccccc4n5-c4cccc5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc45)c3)n2)cc1.
What is the InChIKey of 3-carbazol-9-yl-5-[4-[4-[3-[9-[5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazol-11-yl]carbazol-3-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole?
The InChIKey is CCDAFCQRXJIONQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C102H62N10/c1-4-24-64(25-5-1)97-103-98(65-26-6-2-7-27-65)107-102(106-97)74-47-46-63-33-23-45-90(83(63)59-74)111-89-44-21-17-40-82(89)95-94(111)61-72-32-12-13-36-77(72)96(95)112-88-43-20-16-39-80(88)84-58-71(50-55-91(84)112)68-34-22-35-73(56-68)101-105-99(66-28-8-3-9-29-66)104-100(108-101)67-48-51-75(52-49-67)109-92-60-70-31-11-10-30-69(70)57-85(92)81-54-53-76(62-93(81)109)110-86-41-18-14-37-78(86)79-38-15-19-42-87(79)110/h1-62H.
What are the key properties of 3-carbazol-9-yl-5-[4-[4-[3-[9-[5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazol-11-yl]carbazol-3-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole?
3-carbazol-9-yl-5-[4-[4-[3-[9-[5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazol-11-yl]carbazol-3-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole has a molecular weight of 1427.69 g/mol, XLogP of 25.57, 11 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-5-[4-[4-[3-[9-[5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazol-11-yl]carbazol-3-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole is sourced from PubChem (CID 155477643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).