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

C102H56N10 — CID 130266635

About 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

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 (PubChem CID 130266635) has the molecular formula C102H56N10 and a molecular weight of 1421.64 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 130266635
• Molecular Formula: C102H56N10
• Molecular Weight: 1421.64 g/mol
• Exact Mass: 1420.47
• IUPAC Name: 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
• SMILES: c1ccc(-n2c3ccc(-c4nnc(-n5c6ccccc6c6cc7c8ccccc8n8c9c%10ccccc%10ccc9c(c65)c78)c5ccccc45)cc3c3ccc(-c4ccc5c(c4)c4cc6c7ccccc7n(-c7nnc(-n8c9ccccc9c9ccccc98)c8ccccc78)c6c6c7ccc8ccccc8c7n5c46)cc32)cc1
• InChI: InChI=1S/C102H56N10/c1-2-24-62(25-3-1)107-88-51-46-61(93-71-33-8-9-34-72(71)101(104-103-93)111-86-40-20-15-31-68(86)80-55-79-67-30-14-19-39-85(67)109-94-63-26-6-4-22-57(63)42-48-75(94)91(96(79)109)98(80)111)53-77(88)70-47-44-60(54-90(70)107)59-45-50-89-78(52-59)82-56-81-69-32-16-21-41-87(69)112(99(81)92-76-49-43-58-23-5-7-27-64(58)95(76)110(89)97(82)92)102-74-36-11-10-35-73(74)100(105-106-102)108-83-37-17-12-28-65(83)66-29-13-18-38-84(66)108/h1-56H
• InChIKey: VVYSFUPYPNYFKI-UHFFFAOYSA-N
• XLogP: 25.90
• TPSA: 80.10 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1421.64
LogP ≤ 5	25.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is c1ccc(-n2c3ccc(-c4nnc(-n5c6ccccc6c6cc7c8ccccc8n8c9c%10ccccc%10ccc9c(c65)c78)c5ccccc45)cc3c3ccc(-c4ccc5c(c4)c4cc6c7ccccc7n(-c7nnc(-n8c9ccccc9c9ccccc98)c8ccccc78)c6c6c7ccc8ccccc8c7n5c46)cc32)cc1.

What is the InChIKey of 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?

The InChIKey is VVYSFUPYPNYFKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C102H56N10/c1-2-24-62(25-3-1)107-88-51-46-61(93-71-33-8-9-34-72(71)101(104-103-93)111-86-40-20-15-31-68(86)80-55-79-67-30-14-19-39-85(67)109-94-63-26-6-4-22-57(63)42-48-75(94)91(96(79)109)98(80)111)53-77(88)70-47-44-60(54-90(70)107)59-45-50-89-78(52-59)82-56-81-69-32-16-21-41-87(69)112(99(81)92-76-49-43-58-23-5-7-27-64(58)95(76)110(89)97(82)92)102-74-36-11-10-35-73(74)100(105-106-102)108-83-37-17-12-28-65(83)66-29-13-18-38-84(66)108/h1-56H.

What are the key properties of 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?

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 has a molecular weight of 1421.64 g/mol, XLogP of 25.90, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 130266635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).