17-(9-phenylpyrido[3,4-b]indol-6-yl)-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(26),2,4,6,9,11,13,15,18,20,22,24-dodecaene

C41H24N4 — CID 130258843

IUPAC17-(9-phenylpyrido[3,4-b]indol-6-yl)-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(26),2,4,6,9,11,13,15,18,20,22,24-dodecaene
SMILESc1ccc(-n2c3ccc(-n4c5ccccc5c5cc6c7ccccc7n7c8ccccc8c(c54)c67)cc3c3ccncc32)cc1
InChIInChI=1S/C41H24N4/c1-2-10-25(11-3-1)43-37-19-18-26(22-31(37)29-20-21-42-24-38(29)43)44-34-15-7-4-12-27(34)32-23-33-28-13-5-8-16-35(28)45-36-17-9-6-14-30(36)39(40(32)44)41(33)45/h1-24H
InChIKeyFOSZAVUAFMPRTM-UHFFFAOYSA-N
MW572.67 g/mol
LogP10.43
Rot. Bonds2

About 17-(9-phenylpyrido[3,4-b]indol-6-yl)-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(26),2,4,6,9,11,13,15,18,20,22,24-dodecaene

17-(9-phenylpyrido[3,4-b]indol-6-yl)-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(26),2,4,6,9,11,13,15,18,20,22,24-dodecaene (PubChem CID 130258843) has the molecular formula C41H24N4 and a molecular weight of 572.67 g/mol. Its IUPAC name is 17-(9-phenylpyrido[3,4-b]indol-6-yl)-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(26),2,4,6,9,11,13,15,18,20,22,24-dodecaene.

Molecular Properties

Compound Name17-(9-phenylpyrido[3,4-b]indol-6-yl)-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(26),2,4,6,9,11,13,15,18,20,22,24-dodecaene
PubChem CID130258843
Molecular FormulaC41H24N4
Molecular Weight572.67 g/mol
Exact Mass572.20
IUPAC Name17-(9-phenylpyrido[3,4-b]indol-6-yl)-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(26),2,4,6,9,11,13,15,18,20,22,24-dodecaene
SMILESc1ccc(-n2c3ccc(-n4c5ccccc5c5cc6c7ccccc7n7c8ccccc8c(c54)c67)cc3c3ccncc32)cc1
InChIInChI=1S/C41H24N4/c1-2-10-25(11-3-1)43-37-19-18-26(22-31(37)29-20-21-42-24-38(29)43)44-34-15-7-4-12-27(34)32-23-33-28-13-5-8-16-35(28)45-36-17-9-6-14-30(36)39(40(32)44)41(33)45/h1-24H
InChIKeyFOSZAVUAFMPRTM-UHFFFAOYSA-N
XLogP10.43
TPSA27.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.67
LogP ≤ 510.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 17-(9-phenylpyrido[3,4-b]indol-6-yl)-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(26),2,4,6,9,11,13,15,18,20,22,24-dodecaene with MolForge

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Related Compounds

3-(4-pyrido[3,4-b]indol-9-ylphenyl)-3,23-diazaoctacyclo[14.13.1.02,14.04,13.05,10.017,22.023,30.024,29]triaconta-1(30),2(14),4(13),5,7,9,11,15,17,19,21,24,26,28-tetradecaene
CID 130258359
3-(3-pyrido[3,4-b]indol-9-ylphenyl)-3,23-diazaoctacyclo[14.13.1.02,14.04,13.05,10.017,22.023,30.024,29]triaconta-1(30),2(14),4(13),5,7,9,11,15,17,19,21,24,26,28-tetradecaene
CID 130259868
5,12-bis(5-phenylpyrido[4,3-b]indol-8-yl)indolo[3,2-c]carbazole;5-(9-phenylcarbazol-3-yl)-12-(5-phenylpyrido[4,3-b]indol-8-yl)indolo[3,2-c]carbazole;5-phenyl-12-(4-pyrido[4,3-b]indol-5-ylphenyl)indolo[3,2-c]carbazole
CID 161358691
17-(3-pyrido[3,4-b]indol-9-ylphenyl)-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(26),2,4,6,9,11,13,15,18,20,22,24-dodecaene;3-(3-pyrido[2,3-b]indol-9-ylphenyl)-3,23-diazaoctacyclo[14.13.1.02,14.04,13.05,10.017,22.023,30.024,29]triaconta-1(30),2(14),4(13),5,7,9,11,15,17,19,21,24,26,28-tetradecaene;3-(4-pyrido[2,3-b]indol-9-ylphenyl)-3,23-diazaoctacyclo[14.13.1.02,14.04,13.05,10.017,22.023,30.024,29]triaconta-1(30),2(14),4(13),5,7,9,11,15,17,19,21,24,26,28-tetradecaene;3-(4-pyrido[3,4-b]indol-9-ylphenyl)-3,23-diazaoctacyclo[14.13.1.02,14.04,13.05,10.017,22.023,30.024,29]triaconta-1(30),2(14),4(13),5,7,9,11,15,17,19,21,24,26,28-tetradecaene
CID 159432370
8-carbazol-9-yl-5-phenylpyrido[4,3-b]indole
CID 149133438
5-phenyl-12-(5-phenylpyrido[4,3-b]indol-8-yl)indolo[3,2-c]carbazole;5-phenyl-12-(9-phenylpyrido[2,3-b]indol-6-yl)indolo[3,2-c]carbazole;5-phenyl-12-(9-phenylpyrido[3,4-b]indol-6-yl)indolo[3,2-c]carbazole
CID 162215345
6-[4-(9-phenylcarbazol-3-yl)phenyl]-9-(4-phenylphenyl)pyrido[3,4-b]indole
CID 90336700
8-(2-methoxyphenyl)-17-(9-phenylcarbazol-3-yl)-14,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene
CID 145354139
9-(9-phenylcarbazol-3-yl)-20-selena-6,9-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaene
CID 140763397
ethane;20-(9-phenylcarbazol-3-yl)-20,22-diazahexacyclo[10.9.1.02,7.08,22.013,21.014,19]docosa-1(21),2,4,6,8,10,12,14,16,18-decaene
CID 142477151
10-[3-(3-carbazol-9-ylphenyl)phenyl]-14-phenyl-7,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene
CID 139575264
9-phenyl-6-(9-phenylcarbazol-1-yl)pyrido[3,4-b]indole
CID 129221469

Frequently Asked Questions

What is the IUPAC name of 17-(9-phenylpyrido[3,4-b]indol-6-yl)-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(26),2,4,6,9,11,13,15,18,20,22,24-dodecaene?
The IUPAC name of 17-(9-phenylpyrido[3,4-b]indol-6-yl)-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(26),2,4,6,9,11,13,15,18,20,22,24-dodecaene (CID 130258843) is 17-(9-phenylpyrido[3,4-b]indol-6-yl)-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(26),2,4,6,9,11,13,15,18,20,22,24-dodecaene.
What is the SMILES notation for 17-(9-phenylpyrido[3,4-b]indol-6-yl)-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(26),2,4,6,9,11,13,15,18,20,22,24-dodecaene?
The canonical SMILES for 17-(9-phenylpyrido[3,4-b]indol-6-yl)-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(26),2,4,6,9,11,13,15,18,20,22,24-dodecaene is c1ccc(-n2c3ccc(-n4c5ccccc5c5cc6c7ccccc7n7c8ccccc8c(c54)c67)cc3c3ccncc32)cc1.
What is the InChIKey of 17-(9-phenylpyrido[3,4-b]indol-6-yl)-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(26),2,4,6,9,11,13,15,18,20,22,24-dodecaene?
The InChIKey is FOSZAVUAFMPRTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H24N4/c1-2-10-25(11-3-1)43-37-19-18-26(22-31(37)29-20-21-42-24-38(29)43)44-34-15-7-4-12-27(34)32-23-33-28-13-5-8-16-35(28)45-36-17-9-6-14-30(36)39(40(32)44)41(33)45/h1-24H.
What are the key properties of 17-(9-phenylpyrido[3,4-b]indol-6-yl)-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(26),2,4,6,9,11,13,15,18,20,22,24-dodecaene?
17-(9-phenylpyrido[3,4-b]indol-6-yl)-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(26),2,4,6,9,11,13,15,18,20,22,24-dodecaene has a molecular weight of 572.67 g/mol, XLogP of 10.43, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 17-(9-phenylpyrido[3,4-b]indol-6-yl)-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(26),2,4,6,9,11,13,15,18,20,22,24-dodecaene is sourced from PubChem (CID 130258843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).