5-(4-phenylphenyl)-11-tetraphenylen-2-ylindolo[3,2-b]carbazole

C54H34N2 — CID 138568989

IUPAC5-(4-phenylphenyl)-11-tetraphenylen-2-ylindolo[3,2-b]carbazole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3ccc4c(c3)-c3ccccc3-c3ccccc3-c3ccccc3-4)cc2)cc1
InChIInChI=1S/C54H34N2/c1-2-14-35(15-3-1)36-26-28-37(29-27-36)55-51-24-12-10-22-46(51)49-34-54-50(33-53(49)55)47-23-11-13-25-52(47)56(54)38-30-31-45-43-20-7-6-18-41(43)39-16-4-5-17-40(39)42-19-8-9-21-44(42)48(45)32-38/h1-34H/b41-39-,42-40-,45-43-,48-44-
InChIKeyHCCPHDZNSGTTBQ-DTOJJLCMSA-N
MW710.88 g/mol
LogP14.53
Rot. Bonds3

About 5-(4-phenylphenyl)-11-tetraphenylen-2-ylindolo[3,2-b]carbazole

5-(4-phenylphenyl)-11-tetraphenylen-2-ylindolo[3,2-b]carbazole (PubChem CID 138568989) has the molecular formula C54H34N2 and a molecular weight of 710.88 g/mol. Its IUPAC name is 5-(4-phenylphenyl)-11-tetraphenylen-2-ylindolo[3,2-b]carbazole.

Molecular Properties

Compound Name5-(4-phenylphenyl)-11-tetraphenylen-2-ylindolo[3,2-b]carbazole
PubChem CID138568989
Molecular FormulaC54H34N2
Molecular Weight710.88 g/mol
Exact Mass710.27
IUPAC Name5-(4-phenylphenyl)-11-tetraphenylen-2-ylindolo[3,2-b]carbazole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3ccc4c(c3)-c3ccccc3-c3ccccc3-c3ccccc3-4)cc2)cc1
InChIInChI=1S/C54H34N2/c1-2-14-35(15-3-1)36-26-28-37(29-27-36)55-51-24-12-10-22-46(51)49-34-54-50(33-53(49)55)47-23-11-13-25-52(47)56(54)38-30-31-45-43-20-7-6-18-41(43)39-16-4-5-17-40(39)42-19-8-9-21-44(42)48(45)32-38/h1-34H/b41-39-,42-40-,45-43-,48-44-
InChIKeyHCCPHDZNSGTTBQ-DTOJJLCMSA-N
XLogP14.53
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500710.88
LogP ≤ 514.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-phenyl-11-[4-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole
CID 142356573
5-(4-phenylphenyl)-11-triphenylen-2-ylindolo[3,2-b]carbazole
CID 147253407
3-carbazol-9-yl-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 149208011
2-carbazol-9-yl-9-[9-[4-(4-phenylphenyl)phenyl]carbazol-2-yl]carbazole
CID 170659707
3-carbazol-9-yl-9-(6-carbazol-9-yltetraphenylen-2-yl)carbazole
CID 168811183
3-carbazol-9-yl-9-[3-(2,5-diphenylphenyl)-4-phenylphenyl]carbazole
CID 146872026
9-[4-[3-(4-carbazol-9-ylphenyl)-4-(2,4,5-triphenylphenyl)phenyl]phenyl]carbazole
CID 58943753
11-(4-phenylnaphthalen-1-yl)-5-(4-phenylphenyl)indolo[3,2-b]carbazole
CID 167029799
5-(4-phenylphenyl)-5-azaheptacyclo[19.7.1.02,14.04,12.06,11.015,20.025,29]nonacosa-1(28),2(14),3,6,8,10,12,15,17,19,21,23,25(29),26-tetradecaene
CID 155771619
5-[4-(9-phenylcarbazol-2-yl)phenyl]-11-(3-phenylphenyl)indolo[3,2-b]carbazole
CID 134168715
5-phenyl-11-[2-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole
CID 164847594
5-methyl-11-[4-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole
CID 153276106

Frequently Asked Questions

What is the IUPAC name of 5-(4-phenylphenyl)-11-tetraphenylen-2-ylindolo[3,2-b]carbazole?
The IUPAC name of 5-(4-phenylphenyl)-11-tetraphenylen-2-ylindolo[3,2-b]carbazole (CID 138568989) is 5-(4-phenylphenyl)-11-tetraphenylen-2-ylindolo[3,2-b]carbazole.
What is the SMILES notation for 5-(4-phenylphenyl)-11-tetraphenylen-2-ylindolo[3,2-b]carbazole?
The canonical SMILES for 5-(4-phenylphenyl)-11-tetraphenylen-2-ylindolo[3,2-b]carbazole is c1ccc(-c2ccc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3ccc4c(c3)-c3ccccc3-c3ccccc3-c3ccccc3-4)cc2)cc1.
What is the InChIKey of 5-(4-phenylphenyl)-11-tetraphenylen-2-ylindolo[3,2-b]carbazole?
The InChIKey is HCCPHDZNSGTTBQ-DTOJJLCMSA-N. The full InChI is InChI=1S/C54H34N2/c1-2-14-35(15-3-1)36-26-28-37(29-27-36)55-51-24-12-10-22-46(51)49-34-54-50(33-53(49)55)47-23-11-13-25-52(47)56(54)38-30-31-45-43-20-7-6-18-41(43)39-16-4-5-17-40(39)42-19-8-9-21-44(42)48(45)32-38/h1-34H/b41-39-,42-40-,45-43-,48-44-.
What are the key properties of 5-(4-phenylphenyl)-11-tetraphenylen-2-ylindolo[3,2-b]carbazole?
5-(4-phenylphenyl)-11-tetraphenylen-2-ylindolo[3,2-b]carbazole has a molecular weight of 710.88 g/mol, XLogP of 14.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-phenylphenyl)-11-tetraphenylen-2-ylindolo[3,2-b]carbazole is sourced from PubChem (CID 138568989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).