5-phenyl-12-[2-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]indolo[3,2-c]carbazole

C54H36N2 — CID 154590271

IUPAC5-phenyl-12-[2-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]indolo[3,2-c]carbazole
SMILESc1ccc(-c2cccc(-c3cccc(-c4ccc(-c5ccccc5-n5c6ccccc6c6ccc7c(c8ccccc8n7-c7ccccc7)c65)cc4)c3)c2)cc1
InChIInChI=1S/C54H36N2/c1-3-15-37(16-4-1)40-17-13-19-42(35-40)43-20-14-18-41(36-43)38-29-31-39(32-30-38)45-23-7-10-26-49(45)56-50-27-11-8-24-46(50)47-33-34-52-53(54(47)56)48-25-9-12-28-51(48)55(52)44-21-5-2-6-22-44/h1-36H
InChIKeyCSHCRJNXRYDMMU-UHFFFAOYSA-N
MW712.90 g/mol
LogP14.55
Rot. Bonds6

About 5-phenyl-12-[2-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]indolo[3,2-c]carbazole

5-phenyl-12-[2-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]indolo[3,2-c]carbazole (PubChem CID 154590271) has the molecular formula C54H36N2 and a molecular weight of 712.90 g/mol. Its IUPAC name is 5-phenyl-12-[2-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]indolo[3,2-c]carbazole.

Molecular Properties

Compound Name5-phenyl-12-[2-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]indolo[3,2-c]carbazole
PubChem CID154590271
Molecular FormulaC54H36N2
Molecular Weight712.90 g/mol
Exact Mass712.29
IUPAC Name5-phenyl-12-[2-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]indolo[3,2-c]carbazole
SMILESc1ccc(-c2cccc(-c3cccc(-c4ccc(-c5ccccc5-n5c6ccccc6c6ccc7c(c8ccccc8n7-c7ccccc7)c65)cc4)c3)c2)cc1
InChIInChI=1S/C54H36N2/c1-3-15-37(16-4-1)40-17-13-19-42(35-40)43-20-14-18-41(36-43)38-29-31-39(32-30-38)45-23-7-10-26-49(45)56-50-27-11-8-24-46(50)47-33-34-52-53(54(47)56)48-25-9-12-28-51(48)55(52)44-21-5-2-6-22-44/h1-36H
InChIKeyCSHCRJNXRYDMMU-UHFFFAOYSA-N
XLogP14.55
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500712.90
LogP ≤ 514.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

12-phenyl-5-[5-phenyl-2-[9-(2-phenylphenyl)carbazol-4-yl]phenyl]indolo[3,2-c]carbazole
CID 176831437
12-(2-phenylphenyl)-5-[2-[9-(3-phenylphenyl)carbazol-2-yl]phenyl]indolo[3,2-c]carbazole
CID 176831302
12-(2-phenylphenyl)-5-[2-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]indolo[3,2-c]carbazole
CID 176831298
5-phenyl-12-[3-(3-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 153011834
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
5,12-bis[3-(4-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 122598848
5-(3-phenylphenyl)-12-[3-(3-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 164847593
6-[4-(3-phenylphenyl)phenyl]-6,21-diazaoctacyclo[19.10.1.02,14.05,13.07,12.015,20.022,27.028,32]dotriaconta-1(31),2(14),3,5(13),7,9,11,15,17,19,22,24,26,28(32),29-pentadecaene
CID 126700294
5-[9-(9-phenylcarbazol-4-yl)carbazol-4-yl]-12-(3-phenylphenyl)indolo[3,2-c]carbazole
CID 170268286
12-(4-carbazol-9-ylphenyl)-5-(3-phenylphenyl)indolo[3,2-c]carbazole
CID 134168741

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-12-[2-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]indolo[3,2-c]carbazole?
The IUPAC name of 5-phenyl-12-[2-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]indolo[3,2-c]carbazole (CID 154590271) is 5-phenyl-12-[2-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]indolo[3,2-c]carbazole.
What is the SMILES notation for 5-phenyl-12-[2-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]indolo[3,2-c]carbazole?
The canonical SMILES for 5-phenyl-12-[2-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]indolo[3,2-c]carbazole is c1ccc(-c2cccc(-c3cccc(-c4ccc(-c5ccccc5-n5c6ccccc6c6ccc7c(c8ccccc8n7-c7ccccc7)c65)cc4)c3)c2)cc1.
What is the InChIKey of 5-phenyl-12-[2-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]indolo[3,2-c]carbazole?
The InChIKey is CSHCRJNXRYDMMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N2/c1-3-15-37(16-4-1)40-17-13-19-42(35-40)43-20-14-18-41(36-43)38-29-31-39(32-30-38)45-23-7-10-26-49(45)56-50-27-11-8-24-46(50)47-33-34-52-53(54(47)56)48-25-9-12-28-51(48)55(52)44-21-5-2-6-22-44/h1-36H.
What are the key properties of 5-phenyl-12-[2-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]indolo[3,2-c]carbazole?
5-phenyl-12-[2-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]indolo[3,2-c]carbazole has a molecular weight of 712.90 g/mol, XLogP of 14.55, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-12-[2-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]indolo[3,2-c]carbazole is sourced from PubChem (CID 154590271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).