8-[3-[9-(4,6-diphenyl-2-pyridinyl)-6-[8-[3-[3-[9-(2,6-diphenyl-4-pyridinyl)carbazol-2-yl]carbazol-9-yl]phenyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-5-yl]carbazol-2-yl]carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine

C109H66N10O — CID 129253534

IUPAC8-[3-[9-(4,6-diphenyl-2-pyridinyl)-6-[8-[3-[3-[9-(2,6-diphenyl-4-pyridinyl)carbazol-2-yl]carbazol-9-yl]phenyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-5-yl]carbazol-2-yl]carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccc(-c5cnc6c7ncccc7n(-c7cccc(-n8c9ccccc9c9cc(-c%10ccc%11c%12ccccc%12n(-c%12cc(-c%13ccccc%13)nc(-c%13ccccc%13)c%12)c%11c%10)ccc98)c7)c6c5)cc4c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6oc7cccnc7c6c5)cc43)c2)cc1
InChIInChI=1S/C109H66N10O/c1-5-22-67(23-6-1)76-57-91(68-24-7-2-8-25-68)114-106(61-76)119-99-50-44-73(56-89(99)86-47-41-75(59-102(86)119)72-43-49-98-88(55-72)84-34-15-18-37-96(84)116(98)80-45-51-104-90(63-80)107-105(120-104)39-21-53-110-107)77-60-103-109(112-66-77)108-100(38-20-52-111-108)117(103)79-31-19-30-78(62-79)115-95-36-17-14-33-83(95)87-54-71(42-48-97(87)115)74-40-46-85-82-32-13-16-35-94(82)118(101(85)58-74)81-64-92(69-26-9-3-10-27-69)113-93(65-81)70-28-11-4-12-29-70/h1-66H
InChIKeyUDLGTLFPWJJKEW-UHFFFAOYSA-N
MW1531.80 g/mol
LogP27.72
Rot. Bonds12

About 8-[3-[9-(4,6-diphenyl-2-pyridinyl)-6-[8-[3-[3-[9-(2,6-diphenyl-4-pyridinyl)carbazol-2-yl]carbazol-9-yl]phenyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-5-yl]carbazol-2-yl]carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine

8-[3-[9-(4,6-diphenyl-2-pyridinyl)-6-[8-[3-[3-[9-(2,6-diphenyl-4-pyridinyl)carbazol-2-yl]carbazol-9-yl]phenyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-5-yl]carbazol-2-yl]carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine (PubChem CID 129253534) has the molecular formula C109H66N10O and a molecular weight of 1531.80 g/mol. Its IUPAC name is 8-[3-[9-(4,6-diphenyl-2-pyridinyl)-6-[8-[3-[3-[9-(2,6-diphenyl-4-pyridinyl)carbazol-2-yl]carbazol-9-yl]phenyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-5-yl]carbazol-2-yl]carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine.

Molecular Properties

Compound Name8-[3-[9-(4,6-diphenyl-2-pyridinyl)-6-[8-[3-[3-[9-(2,6-diphenyl-4-pyridinyl)carbazol-2-yl]carbazol-9-yl]phenyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-5-yl]carbazol-2-yl]carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine
PubChem CID129253534
Molecular FormulaC109H66N10O
Molecular Weight1531.80 g/mol
Exact Mass1530.54
IUPAC Name8-[3-[9-(4,6-diphenyl-2-pyridinyl)-6-[8-[3-[3-[9-(2,6-diphenyl-4-pyridinyl)carbazol-2-yl]carbazol-9-yl]phenyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-5-yl]carbazol-2-yl]carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccc(-c5cnc6c7ncccc7n(-c7cccc(-n8c9ccccc9c9cc(-c%10ccc%11c%12ccccc%12n(-c%12cc(-c%13ccccc%13)nc(-c%13ccccc%13)c%12)c%11c%10)ccc98)c7)c6c5)cc4c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6oc7cccnc7c6c5)cc43)c2)cc1
InChIInChI=1S/C109H66N10O/c1-5-22-67(23-6-1)76-57-91(68-24-7-2-8-25-68)114-106(61-76)119-99-50-44-73(56-89(99)86-47-41-75(59-102(86)119)72-43-49-98-88(55-72)84-34-15-18-37-96(84)116(98)80-45-51-104-90(63-80)107-105(120-104)39-21-53-110-107)77-60-103-109(112-66-77)108-100(38-20-52-111-108)117(103)79-31-19-30-78(62-79)115-95-36-17-14-33-83(95)87-54-71(42-48-97(87)115)74-40-46-85-82-32-13-16-35-94(82)118(101(85)58-74)81-64-92(69-26-9-3-10-27-69)113-93(65-81)70-28-11-4-12-29-70/h1-66H
InChIKeyUDLGTLFPWJJKEW-UHFFFAOYSA-N
XLogP27.72
TPSA102.24 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds12
Heavy Atoms120
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001531.80
LogP ≤ 527.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 8-[3-[9-(4,6-diphenyl-2-pyridinyl)-6-[8-[3-[3-[9-(2,6-diphenyl-4-pyridinyl)carbazol-2-yl]carbazol-9-yl]phenyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-5-yl]carbazol-2-yl]carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-[3-[9-(4,6-diphenyl-2-pyridinyl)-6-[8-[3-[3-[9-(2,6-diphenyl-4-pyridinyl)carbazol-2-yl]carbazol-9-yl]phenyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-5-yl]carbazol-2-yl]carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine?
The IUPAC name of 8-[3-[9-(4,6-diphenyl-2-pyridinyl)-6-[8-[3-[3-[9-(2,6-diphenyl-4-pyridinyl)carbazol-2-yl]carbazol-9-yl]phenyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-5-yl]carbazol-2-yl]carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine (CID 129253534) is 8-[3-[9-(4,6-diphenyl-2-pyridinyl)-6-[8-[3-[3-[9-(2,6-diphenyl-4-pyridinyl)carbazol-2-yl]carbazol-9-yl]phenyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-5-yl]carbazol-2-yl]carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine.
What is the SMILES notation for 8-[3-[9-(4,6-diphenyl-2-pyridinyl)-6-[8-[3-[3-[9-(2,6-diphenyl-4-pyridinyl)carbazol-2-yl]carbazol-9-yl]phenyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-5-yl]carbazol-2-yl]carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine?
The canonical SMILES for 8-[3-[9-(4,6-diphenyl-2-pyridinyl)-6-[8-[3-[3-[9-(2,6-diphenyl-4-pyridinyl)carbazol-2-yl]carbazol-9-yl]phenyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-5-yl]carbazol-2-yl]carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine is c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccc(-c5cnc6c7ncccc7n(-c7cccc(-n8c9ccccc9c9cc(-c%10ccc%11c%12ccccc%12n(-c%12cc(-c%13ccccc%13)nc(-c%13ccccc%13)c%12)c%11c%10)ccc98)c7)c6c5)cc4c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6oc7cccnc7c6c5)cc43)c2)cc1.
What is the InChIKey of 8-[3-[9-(4,6-diphenyl-2-pyridinyl)-6-[8-[3-[3-[9-(2,6-diphenyl-4-pyridinyl)carbazol-2-yl]carbazol-9-yl]phenyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-5-yl]carbazol-2-yl]carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine?
The InChIKey is UDLGTLFPWJJKEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C109H66N10O/c1-5-22-67(23-6-1)76-57-91(68-24-7-2-8-25-68)114-106(61-76)119-99-50-44-73(56-89(99)86-47-41-75(59-102(86)119)72-43-49-98-88(55-72)84-34-15-18-37-96(84)116(98)80-45-51-104-90(63-80)107-105(120-104)39-21-53-110-107)77-60-103-109(112-66-77)108-100(38-20-52-111-108)117(103)79-31-19-30-78(62-79)115-95-36-17-14-33-83(95)87-54-71(42-48-97(87)115)74-40-46-85-82-32-13-16-35-94(82)118(101(85)58-74)81-64-92(69-26-9-3-10-27-69)113-93(65-81)70-28-11-4-12-29-70/h1-66H.
What are the key properties of 8-[3-[9-(4,6-diphenyl-2-pyridinyl)-6-[8-[3-[3-[9-(2,6-diphenyl-4-pyridinyl)carbazol-2-yl]carbazol-9-yl]phenyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-5-yl]carbazol-2-yl]carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine?
8-[3-[9-(4,6-diphenyl-2-pyridinyl)-6-[8-[3-[3-[9-(2,6-diphenyl-4-pyridinyl)carbazol-2-yl]carbazol-9-yl]phenyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-5-yl]carbazol-2-yl]carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine has a molecular weight of 1531.80 g/mol, XLogP of 27.72, 12 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-[9-(4,6-diphenyl-2-pyridinyl)-6-[8-[3-[3-[9-(2,6-diphenyl-4-pyridinyl)carbazol-2-yl]carbazol-9-yl]phenyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-5-yl]carbazol-2-yl]carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine is sourced from PubChem (CID 129253534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).