6-pyrido[2,3-b]indol-9-yl-9-tetraphenylen-2-ylpyrido[2,3-b]indole

C46H28N4 — CID 137095996

IUPAC6-pyrido[2,3-b]indol-9-yl-9-tetraphenylen-2-ylpyrido[2,3-b]indole
SMILESc1ccc2c(c1)-c1ccccc1-c1ccc(-n3c4ccc(-n5c6ccccc6c6cccnc65)cc4c4cccnc43)cc1-c1ccccc1-2
InChIInChI=1S/C46H28N4/c1-2-12-32-31(11-1)33-13-3-4-15-35(33)37-23-21-29(27-41(37)36-16-6-5-14-34(32)36)50-44-24-22-30(28-42(44)40-19-10-26-48-46(40)50)49-43-20-8-7-17-38(43)39-18-9-25-47-45(39)49/h1-28H/b33-31-,34-32-,37-35-,41-36-
InChIKeyUOYSOWWLUMEVAZ-VVTKOIHASA-N
MW636.76 g/mol
LogP11.65
Rot. Bonds2

About 6-pyrido[2,3-b]indol-9-yl-9-tetraphenylen-2-ylpyrido[2,3-b]indole

6-pyrido[2,3-b]indol-9-yl-9-tetraphenylen-2-ylpyrido[2,3-b]indole (PubChem CID 137095996) has the molecular formula C46H28N4 and a molecular weight of 636.76 g/mol. Its IUPAC name is 6-pyrido[2,3-b]indol-9-yl-9-tetraphenylen-2-ylpyrido[2,3-b]indole.

Molecular Properties

Compound Name6-pyrido[2,3-b]indol-9-yl-9-tetraphenylen-2-ylpyrido[2,3-b]indole
PubChem CID137095996
Molecular FormulaC46H28N4
Molecular Weight636.76 g/mol
Exact Mass636.23
IUPAC Name6-pyrido[2,3-b]indol-9-yl-9-tetraphenylen-2-ylpyrido[2,3-b]indole
SMILESc1ccc2c(c1)-c1ccccc1-c1ccc(-n3c4ccc(-n5c6ccccc6c6cccnc65)cc4c4cccnc43)cc1-c1ccccc1-2
InChIInChI=1S/C46H28N4/c1-2-12-32-31(11-1)33-13-3-4-15-35(33)37-23-21-29(27-41(37)36-16-6-5-14-34(32)36)50-44-24-22-30(28-42(44)40-19-10-26-48-46(40)50)49-43-20-8-7-17-38(43)39-18-9-25-47-45(39)49/h1-28H/b33-31-,34-32-,37-35-,41-36-
InChIKeyUOYSOWWLUMEVAZ-VVTKOIHASA-N
XLogP11.65
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.76
LogP ≤ 511.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

10-pyrido[2,3-b]indol-9-yl-3,24-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(20),2(7),3,5,8(13),9,11,14,16,18,21,23-dodecaene
CID 140920315
6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenylpyrido[2,3-b]indole
CID 168845228
3-carbazol-9-yl-9-(6-carbazol-9-yltetraphenylen-2-yl)carbazole
CID 168811183
6-pyrido[2,3-b]indol-9-yl-9-[3-(6-pyrido[2,3-b]indol-9-ylpyrido[2,3-b]indol-9-yl)-1-benzothiophen-5-yl]pyrido[2,3-b]indole
CID 90251064
6-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-9-(4-phenylphenyl)pyrido[2,3-b]indole
CID 170064512
11-carbazol-9-yl-23-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(20),2,4,6,8(13),9,11,14,16,18,21,23,25,27-tetradecaene
CID 137294852
14-phenyl-25-pyrido[2,3-b]indol-9-yl-14,21-diazaheptacyclo[19.10.1.02,7.08,13.015,20.022,27.028,32]dotriaconta-1(31),2,4,6,8,10,12,15,17,19,22(27),23,25,28(32),29-pentadecaene
CID 177285265
10-carbazol-9-yl-21,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(20),2,4,6,8(13),9,11,14,16,18,21,23,25,27-tetradecaene
CID 134428704
9-(8-pyrido[2,3-b]indol-9-yldibenzothiophen-2-yl)pyrido[2,3-b]indole
CID 132568147
9-phenylpyrido[2,3-b]indole
CID 15939260
16-(8-phenyl-6,8,10-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaen-10-yl)-3,6-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14(19),15,17,20,22-dodecaene
CID 146631472
9-(3-phenylphenyl)-6-[9-(4-phenylphenyl)carbazol-1-yl]pyrido[2,3-b]indole
CID 118586973

Frequently Asked Questions

What is the IUPAC name of 6-pyrido[2,3-b]indol-9-yl-9-tetraphenylen-2-ylpyrido[2,3-b]indole?
The IUPAC name of 6-pyrido[2,3-b]indol-9-yl-9-tetraphenylen-2-ylpyrido[2,3-b]indole (CID 137095996) is 6-pyrido[2,3-b]indol-9-yl-9-tetraphenylen-2-ylpyrido[2,3-b]indole.
What is the SMILES notation for 6-pyrido[2,3-b]indol-9-yl-9-tetraphenylen-2-ylpyrido[2,3-b]indole?
The canonical SMILES for 6-pyrido[2,3-b]indol-9-yl-9-tetraphenylen-2-ylpyrido[2,3-b]indole is c1ccc2c(c1)-c1ccccc1-c1ccc(-n3c4ccc(-n5c6ccccc6c6cccnc65)cc4c4cccnc43)cc1-c1ccccc1-2.
What is the InChIKey of 6-pyrido[2,3-b]indol-9-yl-9-tetraphenylen-2-ylpyrido[2,3-b]indole?
The InChIKey is UOYSOWWLUMEVAZ-VVTKOIHASA-N. The full InChI is InChI=1S/C46H28N4/c1-2-12-32-31(11-1)33-13-3-4-15-35(33)37-23-21-29(27-41(37)36-16-6-5-14-34(32)36)50-44-24-22-30(28-42(44)40-19-10-26-48-46(40)50)49-43-20-8-7-17-38(43)39-18-9-25-47-45(39)49/h1-28H/b33-31-,34-32-,37-35-,41-36-.
What are the key properties of 6-pyrido[2,3-b]indol-9-yl-9-tetraphenylen-2-ylpyrido[2,3-b]indole?
6-pyrido[2,3-b]indol-9-yl-9-tetraphenylen-2-ylpyrido[2,3-b]indole has a molecular weight of 636.76 g/mol, XLogP of 11.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyrido[2,3-b]indol-9-yl-9-tetraphenylen-2-ylpyrido[2,3-b]indole is sourced from PubChem (CID 137095996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).