5-[4-[4-[12-(3-carbazol-9-ylphenyl)indolo[2,3-a]carbazol-11-yl]phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole

C72H45N5 — CID 88917457

IUPAC5-[4-[4-[12-(3-carbazol-9-ylphenyl)indolo[2,3-a]carbazol-11-yl]phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole
SMILESc1ccc(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4ccc(-c5ccc(-n6c7ccccc7c7ccc8c9ccccc9n(-c9cccc(-n%10c%11ccccc%11c%11ccccc%11%10)c9)c8c76)cc5)cc4)c32)cc1
InChIInChI=1S/C72H45N5/c1-2-17-48(18-3-1)75-64-29-12-6-23-55(64)58-43-44-68-69(70(58)75)61-26-9-15-32-67(61)73(68)49-37-33-46(34-38-49)47-35-39-50(40-36-47)76-65-30-13-7-24-56(65)59-41-42-60-57-25-8-14-31-66(57)77(72(60)71(59)76)52-20-16-19-51(45-52)74-62-27-10-4-21-53(62)54-22-5-11-28-63(54)74/h1-45H
InChIKeyULEIPUANETZFGD-UHFFFAOYSA-N
MW980.19 g/mol
LogP18.84
Rot. Bonds6

About 5-[4-[4-[12-(3-carbazol-9-ylphenyl)indolo[2,3-a]carbazol-11-yl]phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole

5-[4-[4-[12-(3-carbazol-9-ylphenyl)indolo[2,3-a]carbazol-11-yl]phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole (PubChem CID 88917457) has the molecular formula C72H45N5 and a molecular weight of 980.19 g/mol. Its IUPAC name is 5-[4-[4-[12-(3-carbazol-9-ylphenyl)indolo[2,3-a]carbazol-11-yl]phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole.

Molecular Properties

Compound Name5-[4-[4-[12-(3-carbazol-9-ylphenyl)indolo[2,3-a]carbazol-11-yl]phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole
PubChem CID88917457
Molecular FormulaC72H45N5
Molecular Weight980.19 g/mol
Exact Mass979.37
IUPAC Name5-[4-[4-[12-(3-carbazol-9-ylphenyl)indolo[2,3-a]carbazol-11-yl]phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole
SMILESc1ccc(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4ccc(-c5ccc(-n6c7ccccc7c7ccc8c9ccccc9n(-c9cccc(-n%10c%11ccccc%11c%11ccccc%11%10)c9)c8c76)cc5)cc4)c32)cc1
InChIInChI=1S/C72H45N5/c1-2-17-48(18-3-1)75-64-29-12-6-23-55(64)58-43-44-68-69(70(58)75)61-26-9-15-32-67(61)73(68)49-37-33-46(34-38-49)47-35-39-50(40-36-47)76-65-30-13-7-24-56(65)59-41-42-60-57-25-8-14-31-66(57)77(72(60)71(59)76)52-20-16-19-51(45-52)74-62-27-10-4-21-53(62)54-22-5-11-28-63(54)74/h1-45H
InChIKeyULEIPUANETZFGD-UHFFFAOYSA-N
XLogP18.84
TPSA24.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500980.19
LogP ≤ 518.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

12-(3-phenylphenyl)-5-[4-(4-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 122598833
5-(3-phenylphenyl)-12-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 126656172
12-[3-(4-carbazol-9-ylphenyl)phenyl]-5-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 134168746
5-[3-[11-(3-carbazol-9-ylphenyl)indolo[2,3-a]carbazol-12-yl]-5-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-12-phenylindolo[3,2-c]carbazole
CID 88917462
5-(9-phenylcarbazol-2-yl)-12-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 134168829
12-(4-carbazol-9-ylphenyl)-5-(3-phenylphenyl)indolo[3,2-c]carbazole
CID 134168741
5-phenyl-12-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]indolo[3,2-c]carbazole
CID 134168773
5,12-bis[3-(4-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 122598848
5-phenyl-12-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[3,2-c]carbazole
CID 134240235
12-(4-phenylphenyl)-5-(3-triphenylen-2-ylphenyl)indolo[3,2-c]carbazole
CID 170676015
5-phenyl-12-[3-(3-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 153011834
5-phenyl-11-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]indolo[3,2-b]carbazole
CID 58038298

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-[12-(3-carbazol-9-ylphenyl)indolo[2,3-a]carbazol-11-yl]phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole?
The IUPAC name of 5-[4-[4-[12-(3-carbazol-9-ylphenyl)indolo[2,3-a]carbazol-11-yl]phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole (CID 88917457) is 5-[4-[4-[12-(3-carbazol-9-ylphenyl)indolo[2,3-a]carbazol-11-yl]phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole.
What is the SMILES notation for 5-[4-[4-[12-(3-carbazol-9-ylphenyl)indolo[2,3-a]carbazol-11-yl]phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole?
The canonical SMILES for 5-[4-[4-[12-(3-carbazol-9-ylphenyl)indolo[2,3-a]carbazol-11-yl]phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole is c1ccc(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4ccc(-c5ccc(-n6c7ccccc7c7ccc8c9ccccc9n(-c9cccc(-n%10c%11ccccc%11c%11ccccc%11%10)c9)c8c76)cc5)cc4)c32)cc1.
What is the InChIKey of 5-[4-[4-[12-(3-carbazol-9-ylphenyl)indolo[2,3-a]carbazol-11-yl]phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole?
The InChIKey is ULEIPUANETZFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H45N5/c1-2-17-48(18-3-1)75-64-29-12-6-23-55(64)58-43-44-68-69(70(58)75)61-26-9-15-32-67(61)73(68)49-37-33-46(34-38-49)47-35-39-50(40-36-47)76-65-30-13-7-24-56(65)59-41-42-60-57-25-8-14-31-66(57)77(72(60)71(59)76)52-20-16-19-51(45-52)74-62-27-10-4-21-53(62)54-22-5-11-28-63(54)74/h1-45H.
What are the key properties of 5-[4-[4-[12-(3-carbazol-9-ylphenyl)indolo[2,3-a]carbazol-11-yl]phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole?
5-[4-[4-[12-(3-carbazol-9-ylphenyl)indolo[2,3-a]carbazol-11-yl]phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole has a molecular weight of 980.19 g/mol, XLogP of 18.84, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-[12-(3-carbazol-9-ylphenyl)indolo[2,3-a]carbazol-11-yl]phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole is sourced from PubChem (CID 88917457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).