6-phenyl-5-[4-(2,3,5,6-tetrapyridin-3-ylphenyl)phenyl]indolo[2,3-b]indole

C52H34N6 — CID 172680291

IUPAC6-phenyl-5-[4-(2,3,5,6-tetrapyridin-3-ylphenyl)phenyl]indolo[2,3-b]indole
SMILESc1ccc(-n2c3ccccc3c3c4ccccc4n(-c4ccc(-c5c(-c6cccnc6)c(-c6cccnc6)cc(-c6cccnc6)c5-c5cccnc5)cc4)c32)cc1
InChIInChI=1S/C52H34N6/c1-2-16-40(17-3-1)57-46-20-6-4-18-42(46)51-43-19-5-7-21-47(43)58(52(51)57)41-24-22-35(23-25-41)50-48(38-14-10-28-55-33-38)44(36-12-8-26-53-31-36)30-45(37-13-9-27-54-32-37)49(50)39-15-11-29-56-34-39/h1-34H
InChIKeyAHLDRYAPZQYSBZ-UHFFFAOYSA-N
MW742.89 g/mol
LogP12.64
Rot. Bonds7

About 6-phenyl-5-[4-(2,3,5,6-tetrapyridin-3-ylphenyl)phenyl]indolo[2,3-b]indole

6-phenyl-5-[4-(2,3,5,6-tetrapyridin-3-ylphenyl)phenyl]indolo[2,3-b]indole (PubChem CID 172680291) has the molecular formula C52H34N6 and a molecular weight of 742.89 g/mol. Its IUPAC name is 6-phenyl-5-[4-(2,3,5,6-tetrapyridin-3-ylphenyl)phenyl]indolo[2,3-b]indole.

Molecular Properties

Compound Name6-phenyl-5-[4-(2,3,5,6-tetrapyridin-3-ylphenyl)phenyl]indolo[2,3-b]indole
PubChem CID172680291
Molecular FormulaC52H34N6
Molecular Weight742.89 g/mol
Exact Mass742.28
IUPAC Name6-phenyl-5-[4-(2,3,5,6-tetrapyridin-3-ylphenyl)phenyl]indolo[2,3-b]indole
SMILESc1ccc(-n2c3ccccc3c3c4ccccc4n(-c4ccc(-c5c(-c6cccnc6)c(-c6cccnc6)cc(-c6cccnc6)c5-c5cccnc5)cc4)c32)cc1
InChIInChI=1S/C52H34N6/c1-2-16-40(17-3-1)57-46-20-6-4-18-42(46)51-43-19-5-7-21-47(43)58(52(51)57)41-24-22-35(23-25-41)50-48(38-14-10-28-55-33-38)44(36-12-8-26-53-31-36)30-45(37-13-9-27-54-32-37)49(50)39-15-11-29-56-34-39/h1-34H
InChIKeyAHLDRYAPZQYSBZ-UHFFFAOYSA-N
XLogP12.64
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500742.89
LogP ≤ 512.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3,9-diphenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-(4-pyridin-3-ylphenyl)carbazole
CID 160711176
N,5,6-triphenyl-N-pyridin-3-ylindolo[2,3-b]indol-3-amine
CID 146367048
5-[3,5-bis(6-phenylindolo[2,3-b]indol-5-yl)phenyl]-6-phenylindolo[2,3-b]indole;5-[4-[3,5-bis(6-phenylindolo[2,3-b]indol-5-yl)phenyl]phenyl]-6-phenylindolo[2,3-b]indole
CID 159023598
7-phenyl-5-[4-[4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[c]carbazole
CID 164843445
11-(4-phenylphenyl)-12-pyridin-3-ylindolo[2,3-a]carbazole
CID 126731374
21-[4-[2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene
CID 121422959
9-[4-[6-(4-pyridin-3-ylphenyl)pyren-1-yl]phenyl]carbazole
CID 58273614
15-phenyl-4,9-bis(3-pyridin-3-ylcarbazol-9-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene
CID 118137512
9-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole;3-[9-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;9-[4-(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)phenyl]-3-[9-[4-(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]carbazole
CID 160869531
9-(2,6-dipyridin-3-yl-4-pyridinyl)carbazole
CID 135264911
3-carbazol-9-yl-9-(3-pyridin-3-ylphenyl)carbazole
CID 126749641
7-[4-[2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]benzo[c]carbazole
CID 121422958

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-5-[4-(2,3,5,6-tetrapyridin-3-ylphenyl)phenyl]indolo[2,3-b]indole?
The IUPAC name of 6-phenyl-5-[4-(2,3,5,6-tetrapyridin-3-ylphenyl)phenyl]indolo[2,3-b]indole (CID 172680291) is 6-phenyl-5-[4-(2,3,5,6-tetrapyridin-3-ylphenyl)phenyl]indolo[2,3-b]indole.
What is the SMILES notation for 6-phenyl-5-[4-(2,3,5,6-tetrapyridin-3-ylphenyl)phenyl]indolo[2,3-b]indole?
The canonical SMILES for 6-phenyl-5-[4-(2,3,5,6-tetrapyridin-3-ylphenyl)phenyl]indolo[2,3-b]indole is c1ccc(-n2c3ccccc3c3c4ccccc4n(-c4ccc(-c5c(-c6cccnc6)c(-c6cccnc6)cc(-c6cccnc6)c5-c5cccnc5)cc4)c32)cc1.
What is the InChIKey of 6-phenyl-5-[4-(2,3,5,6-tetrapyridin-3-ylphenyl)phenyl]indolo[2,3-b]indole?
The InChIKey is AHLDRYAPZQYSBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N6/c1-2-16-40(17-3-1)57-46-20-6-4-18-42(46)51-43-19-5-7-21-47(43)58(52(51)57)41-24-22-35(23-25-41)50-48(38-14-10-28-55-33-38)44(36-12-8-26-53-31-36)30-45(37-13-9-27-54-32-37)49(50)39-15-11-29-56-34-39/h1-34H.
What are the key properties of 6-phenyl-5-[4-(2,3,5,6-tetrapyridin-3-ylphenyl)phenyl]indolo[2,3-b]indole?
6-phenyl-5-[4-(2,3,5,6-tetrapyridin-3-ylphenyl)phenyl]indolo[2,3-b]indole has a molecular weight of 742.89 g/mol, XLogP of 12.64, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-5-[4-(2,3,5,6-tetrapyridin-3-ylphenyl)phenyl]indolo[2,3-b]indole is sourced from PubChem (CID 172680291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).