13-[4-(9-phenylcarbazol-2-yl)phthalazin-1-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

C54H31N5 — CID 130259796

IUPAC13-[4-(9-phenylcarbazol-2-yl)phthalazin-1-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
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4nnc(-n5c6ccc7ccccc7c6c6c7c8ccccc8n8c9ccccc9c(cc65)c78)c5ccccc45)cc32)cc1
InChIInChI=1S/C54H31N5/c1-2-15-34(16-3-1)57-43-23-11-8-18-36(43)38-28-26-33(30-47(38)57)52-39-20-6-7-21-40(39)54(56-55-52)59-46-29-27-32-14-4-5-17-35(32)49(46)51-48(59)31-42-37-19-9-12-24-44(37)58-45-25-13-10-22-41(45)50(51)53(42)58/h1-31H
InChIKeyZWYOPBXKOKAHHY-UHFFFAOYSA-N
MW749.88 g/mol
LogP13.79
Rot. Bonds3

About 13-[4-(9-phenylcarbazol-2-yl)phthalazin-1-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

13-[4-(9-phenylcarbazol-2-yl)phthalazin-1-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 (PubChem CID 130259796) has the molecular formula C54H31N5 and a molecular weight of 749.88 g/mol. Its IUPAC name is 13-[4-(9-phenylcarbazol-2-yl)phthalazin-1-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.

Molecular Properties

Compound Name13-[4-(9-phenylcarbazol-2-yl)phthalazin-1-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
PubChem CID130259796
Molecular FormulaC54H31N5
Molecular Weight749.88 g/mol
Exact Mass749.26
IUPAC Name13-[4-(9-phenylcarbazol-2-yl)phthalazin-1-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
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4nnc(-n5c6ccc7ccccc7c6c6c7c8ccccc8n8c9ccccc9c(cc65)c78)c5ccccc45)cc32)cc1
InChIInChI=1S/C54H31N5/c1-2-15-34(16-3-1)57-43-23-11-8-18-36(43)38-28-26-33(30-47(38)57)52-39-20-6-7-21-40(39)54(56-55-52)59-46-29-27-32-14-4-5-17-35(32)49(46)51-48(59)31-42-37-19-9-12-24-44(37)58-45-25-13-10-22-41(45)50(51)53(42)58/h1-31H
InChIKeyZWYOPBXKOKAHHY-UHFFFAOYSA-N
XLogP13.79
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500749.88
LogP ≤ 513.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 13-[4-(9-phenylcarbazol-2-yl)phthalazin-1-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 with MolForge

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Related Compounds

9-[4-(9-phenylcarbazol-2-yl)phthalazin-1-yl]-9,19-diazaoctacyclo[17.10.1.02,10.03,8.012,30.013,18.020,29.022,27]triaconta-1(30),2(10),3,5,7,11,13,15,17,20,22,24,26,28-tetradecaene
CID 130258979
3-(4-carbazol-9-ylphthalazin-1-yl)-3,23-diazaoctacyclo[14.13.1.02,14.04,13.07,12.017,22.023,30.024,29]triaconta-1(30),2(14),4(13),5,7,9,11,15,17,19,21,24,26,28-tetradecaene;3-[4-(9-phenylcarbazol-2-yl)phthalazin-1-yl]-3,23-diazaoctacyclo[14.13.1.02,14.04,13.07,12.017,22.023,30.024,29]triaconta-1(30),2(14),4(13),5,7,9,11,15,17,19,21,24,26,28-tetradecaene;3-[4-(9-phenylcarbazol-3-yl)phthalazin-1-yl]-3,23-diazaoctacyclo[14.13.1.02,14.04,13.07,12.017,22.023,30.024,29]triaconta-1(30),2(14),4(13),5,7,9,11,15,17,19,21,24,26,28-tetradecaene
CID 157291705
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;13-[4-[3-(9-phenylcarbazol-3-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;13-[4-(4-phenylphenyl)phthalazin-1-yl]-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 159098703
28-[4-(9-phenylcarbazol-3-yl)phthalazin-1-yl]-12,28-diazaoctacyclo[17.10.1.02,11.03,8.012,30.013,18.021,29.022,27]triaconta-1(30),2(11),3,5,7,9,13,15,17,19,21(29),22,24,26-tetradecaene
CID 130258478
3-(4-carbazol-9-ylphthalazin-1-yl)-15-[6-[4-(3,19-diazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.021,26]triaconta-1(30),2(10),4,6,8,11,13,15,17,20(29),21,23,25,27-tetradecaen-3-yl)phthalazin-1-yl]-9-phenylcarbazol-2-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(18),14,16,20(29),21,23,25,27-tetradecaene
CID 130266635
13-(4-benzo[c]carbazol-7-ylphthalazin-1-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;13-(4-carbazol-9-ylphthalazin-1-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;13-[4-(9-phenylcarbazol-3-yl)quinazolin-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;13-[4-(9-phenylcarbazol-4-yl)quinazolin-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 158517412
3-[4-(3-benzo[c]carbazol-7-ylquinoxalin-2-yl)phenyl]-3,23-diazaoctacyclo[14.13.1.02,14.04,13.06,11.017,22.023,30.024,29]triaconta-1(30),2(14),4,6,8,10,12,15,17,19,21,24,26,28-tetradecaene;3-[4-(9-phenylcarbazol-2-yl)phthalazin-1-yl]-3,23-diazaoctacyclo[14.13.1.02,14.04,13.06,11.017,22.023,30.024,29]triaconta-1(30),2(14),4,6,8,10,12,15,17,19,21,24,26,28-tetradecaene;3-[4-(9-phenylcarbazol-3-yl)phthalazin-1-yl]-3,23-diazaoctacyclo[14.13.1.02,14.04,13.06,11.017,22.023,30.024,29]triaconta-1(30),2(14),4,6,8,10,12,15,17,19,21,24,26,28-tetradecaene
CID 162062043
9-[4-(3-naphthalen-1-ylquinoxalin-2-yl)phenyl]-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;9-[4-(3-naphthalen-2-ylquinoxalin-2-yl)phenyl]-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;9-(4-phenylphthalazin-1-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 158818178
4-(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)-2-(9-phenylcarbazol-2-yl)-[1]benzofuro[2,3-d]pyrimidine
CID 130260269
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
3-[4-(9-phenylcarbazol-2-yl)phthalazin-1-yl]-3,19-diazanonacyclo[17.14.1.02,10.04,9.012,34.013,18.020,33.021,30.023,28]tetratriaconta-1(34),2(10),4,6,8,11,13,15,17,20(33),21,23,25,27,29,31-hexadecaene
CID 138709194
16-[3-benzo[c]carbazol-7-yl-2-[4-(3,19-diazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1,4,6,8,10,12(30),13,15,17,20,22,24,26,28-tetradecaen-3-yl)phenyl]quinoxalin-6-yl]-28-[4-(9-phenylcarbazol-2-yl)phthalazin-1-yl]-12,28-diazaoctacyclo[17.10.1.02,11.03,8.012,30.013,18.021,29.022,27]triaconta-1(29),2(11),3,5,7,9,13(18),14,16,19(30),20,22,24,26-tetradecaene
CID 138752079

Frequently Asked Questions

What is the IUPAC name of 13-[4-(9-phenylcarbazol-2-yl)phthalazin-1-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?
The IUPAC name of 13-[4-(9-phenylcarbazol-2-yl)phthalazin-1-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 130259796) is 13-[4-(9-phenylcarbazol-2-yl)phthalazin-1-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.
What is the SMILES notation for 13-[4-(9-phenylcarbazol-2-yl)phthalazin-1-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?
The canonical SMILES for 13-[4-(9-phenylcarbazol-2-yl)phthalazin-1-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 is c1ccc(-n2c3ccccc3c3ccc(-c4nnc(-n5c6ccc7ccccc7c6c6c7c8ccccc8n8c9ccccc9c(cc65)c78)c5ccccc45)cc32)cc1.
What is the InChIKey of 13-[4-(9-phenylcarbazol-2-yl)phthalazin-1-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?
The InChIKey is ZWYOPBXKOKAHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H31N5/c1-2-15-34(16-3-1)57-43-23-11-8-18-36(43)38-28-26-33(30-47(38)57)52-39-20-6-7-21-40(39)54(56-55-52)59-46-29-27-32-14-4-5-17-35(32)49(46)51-48(59)31-42-37-19-9-12-24-44(37)58-45-25-13-10-22-41(45)50(51)53(42)58/h1-31H.
What are the key properties of 13-[4-(9-phenylcarbazol-2-yl)phthalazin-1-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?
13-[4-(9-phenylcarbazol-2-yl)phthalazin-1-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 has a molecular weight of 749.88 g/mol, XLogP of 13.79, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 13-[4-(9-phenylcarbazol-2-yl)phthalazin-1-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 is sourced from PubChem (CID 130259796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).