13-(4-pyrido[2,3-b]indol-9-ylphenyl)-13,23-diazaoctacyclo[14.13.1.02,14.03,12.06,11.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaene

C45H26N4 — CID 130259576

IUPAC13-(4-pyrido[2,3-b]indol-9-ylphenyl)-13,23-diazaoctacyclo[14.13.1.02,14.03,12.06,11.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaene
SMILESc1ccc2c(c1)ccc1c3c4c5ccccc5n5c6ccccc6c(cc3n(-c3ccc(-n6c7ccccc7c7cccnc76)cc3)c21)c45
InChIInChI=1S/C45H26N4/c1-2-11-30-27(10-1)19-24-35-41-40(26-36-32-13-4-7-17-38(32)49-39-18-8-5-14-34(39)42(41)44(36)49)47(43(30)35)28-20-22-29(23-21-28)48-37-16-6-3-12-31(37)33-15-9-25-46-45(33)48/h1-26H
InChIKeyGCGRFLLRWQFIQK-UHFFFAOYSA-N
MW622.73 g/mol
LogP11.58
Rot. Bonds2

About 13-(4-pyrido[2,3-b]indol-9-ylphenyl)-13,23-diazaoctacyclo[14.13.1.02,14.03,12.06,11.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaene

13-(4-pyrido[2,3-b]indol-9-ylphenyl)-13,23-diazaoctacyclo[14.13.1.02,14.03,12.06,11.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaene (PubChem CID 130259576) has the molecular formula C45H26N4 and a molecular weight of 622.73 g/mol. Its IUPAC name is 13-(4-pyrido[2,3-b]indol-9-ylphenyl)-13,23-diazaoctacyclo[14.13.1.02,14.03,12.06,11.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaene.

Molecular Properties

Compound Name13-(4-pyrido[2,3-b]indol-9-ylphenyl)-13,23-diazaoctacyclo[14.13.1.02,14.03,12.06,11.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaene
PubChem CID130259576
Molecular FormulaC45H26N4
Molecular Weight622.73 g/mol
Exact Mass622.22
IUPAC Name13-(4-pyrido[2,3-b]indol-9-ylphenyl)-13,23-diazaoctacyclo[14.13.1.02,14.03,12.06,11.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaene
SMILESc1ccc2c(c1)ccc1c3c4c5ccccc5n5c6ccccc6c(cc3n(-c3ccc(-n6c7ccccc7c7cccnc76)cc3)c21)c45
InChIInChI=1S/C45H26N4/c1-2-11-30-27(10-1)19-24-35-41-40(26-36-32-13-4-7-17-38(32)49-39-18-8-5-14-34(39)42(41)44(36)49)47(43(30)35)28-20-22-29(23-21-28)48-37-16-6-3-12-31(37)33-15-9-25-46-45(33)48/h1-26H
InChIKeyGCGRFLLRWQFIQK-UHFFFAOYSA-N
XLogP11.58
TPSA27.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.73
LogP ≤ 511.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 13-(4-pyrido[2,3-b]indol-9-ylphenyl)-13,23-diazaoctacyclo[14.13.1.02,14.03,12.06,11.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaene with MolForge

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Related Compounds

14-(3-pyrido[2,3-b]indol-9-ylphenyl)-14,23-diazanonacyclo[21.10.1.02,22.03,15.04,13.07,12.016,21.024,29.030,34]tetratriaconta-1(33),2(22),3(15),4(13),5,7,9,11,16,18,20,24,26,28,30(34),31-hexadecaene
CID 146826614
9-(9-phenylpyrido[2,3-b]indol-4-yl)-9,19-diazaoctacyclo[17.10.1.02,10.03,8.012,30.013,18.020,29.021,26]triaconta-1(30),2(10),3,5,7,11,13,15,17,20(29),21,23,25,27-tetradecaene
CID 138709225
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
13-[4-[3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]phenyl]-13,23-diazaoctacyclo[14.13.1.02,14.03,12.06,11.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaene
CID 130259984
7-[3-[3-(13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaen-13-yl)pyrido[3,4-b]indol-9-yl]phenyl]-13-(9-phenylpyrido[2,3-b]indol-7-yl)-13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4(9),5,7,10,15,17,19,21,24,26,28-tetradecaene
CID 130266597
9-(9-phenylpyrido[2,3-b]indol-7-yl)-9,19-diazaoctacyclo[17.10.1.02,10.03,8.012,30.013,18.020,29.023,28]triaconta-1(30),2(10),3,5,7,11,13,15,17,20(29),21,23,25,27-tetradecaene;9-(9-phenylpyrido[3,4-b]indol-3-yl)-9,19-diazaoctacyclo[17.10.1.02,10.03,8.012,30.013,18.020,29.023,28]triaconta-1(30),2(10),3,5,7,11,13,15,17,20(29),21,23,25,27-tetradecaene;9-(9-phenylpyrido[3,4-b]indol-6-yl)-9,19-diazaoctacyclo[17.10.1.02,10.03,8.012,30.013,18.020,29.023,28]triaconta-1(30),2(10),3,5,7,11,13,15,17,20(29),21,23,25,27-tetradecaene
CID 158566104
3-(9-phenylpyrido[2,3-b]indol-3-yl)-3,19-diazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.021,26]triaconta-1,4,6,8,10,12(30),13,15,17,20(29),21,23,25,27-tetradecaene
CID 130259943
9-(4-methylpyrido[3,2-d]pyrimidin-2-yl)-9,19-diazaoctacyclo[17.10.1.02,10.03,8.012,30.013,18.020,29.021,26]triaconta-1(30),2(10),3,5,7,11,13,15,17,20(29),21,23,25,27-tetradecaene
CID 130259832
25-[4-[3-(9,19-diazaoctacyclo[17.10.1.02,10.03,8.012,30.013,18.020,29.023,28]triaconta-1(30),2(10),3,5,7,11,13,15,17,20(29),21,23,25,27-tetradecaen-9-yl)pyrido[2,3-b]indol-9-yl]phenyl]-9-pyrido[2,3-d]pyrimidin-2-yl-9,19-diazaoctacyclo[17.10.1.02,10.03,8.012,30.013,18.020,29.023,28]triaconta-1(30),2(10),3,5,7,11,13,15,17,20(29),21,23(28),24,26-tetradecaene
CID 130266460
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
9-quinazolin-2-yl-9,19-diazaoctacyclo[17.10.1.02,10.03,8.012,30.013,18.020,29.021,26]triaconta-1(30),2(10),3,5,7,11,13,15,17,20(29),21,23,25,27-tetradecaene
CID 130259833
13-(1,10-phenanthrolin-2-yl)-13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaene
CID 130258624

Frequently Asked Questions

What is the IUPAC name of 13-(4-pyrido[2,3-b]indol-9-ylphenyl)-13,23-diazaoctacyclo[14.13.1.02,14.03,12.06,11.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaene?
The IUPAC name of 13-(4-pyrido[2,3-b]indol-9-ylphenyl)-13,23-diazaoctacyclo[14.13.1.02,14.03,12.06,11.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaene (CID 130259576) is 13-(4-pyrido[2,3-b]indol-9-ylphenyl)-13,23-diazaoctacyclo[14.13.1.02,14.03,12.06,11.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaene.
What is the SMILES notation for 13-(4-pyrido[2,3-b]indol-9-ylphenyl)-13,23-diazaoctacyclo[14.13.1.02,14.03,12.06,11.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaene?
The canonical SMILES for 13-(4-pyrido[2,3-b]indol-9-ylphenyl)-13,23-diazaoctacyclo[14.13.1.02,14.03,12.06,11.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaene is c1ccc2c(c1)ccc1c3c4c5ccccc5n5c6ccccc6c(cc3n(-c3ccc(-n6c7ccccc7c7cccnc76)cc3)c21)c45.
What is the InChIKey of 13-(4-pyrido[2,3-b]indol-9-ylphenyl)-13,23-diazaoctacyclo[14.13.1.02,14.03,12.06,11.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaene?
The InChIKey is GCGRFLLRWQFIQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H26N4/c1-2-11-30-27(10-1)19-24-35-41-40(26-36-32-13-4-7-17-38(32)49-39-18-8-5-14-34(39)42(41)44(36)49)47(43(30)35)28-20-22-29(23-21-28)48-37-16-6-3-12-31(37)33-15-9-25-46-45(33)48/h1-26H.
What are the key properties of 13-(4-pyrido[2,3-b]indol-9-ylphenyl)-13,23-diazaoctacyclo[14.13.1.02,14.03,12.06,11.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaene?
13-(4-pyrido[2,3-b]indol-9-ylphenyl)-13,23-diazaoctacyclo[14.13.1.02,14.03,12.06,11.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaene has a molecular weight of 622.73 g/mol, XLogP of 11.58, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 13-(4-pyrido[2,3-b]indol-9-ylphenyl)-13,23-diazaoctacyclo[14.13.1.02,14.03,12.06,11.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaene is sourced from PubChem (CID 130259576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).