9-phenyl-2-spiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-ylcarbazole;3-N,3-N,6-N,6-N-tetraphenyl-3'-(5-quinolin-8-yl-3-pyridinyl)spiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3,6-diamine

C126H77N5 — CID 167630047

About 9-phenyl-2-spiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-ylcarbazole;3-N,3-N,6-N,6-N-tetraphenyl-3'-(5-quinolin-8-yl-3-pyridinyl)spiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3,6-diamine

9-phenyl-2-spiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-ylcarbazole;3-N,3-N,6-N,6-N-tetraphenyl-3'-(5-quinolin-8-yl-3-pyridinyl)spiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3,6-diamine (PubChem CID 167630047) has the molecular formula C126H77N5 and a molecular weight of 1661.04 g/mol. Its IUPAC name is 9-phenyl-2-spiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-ylcarbazole;3-N,3-N,6-N,6-N-tetraphenyl-3'-(5-quinolin-8-yl-3-pyridinyl)spiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3,6-diamine.

Molecular Properties

• Compound Name: 9-phenyl-2-spiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-ylcarbazole;3-N,3-N,6-N,6-N-tetraphenyl-3'-(5-quinolin-8-yl-3-pyridinyl)spiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3,6-diamine
• PubChem CID: 167630047
• Molecular Formula: C126H77N5
• Molecular Weight: 1661.04 g/mol
• Exact Mass: 1659.62
• IUPAC Name: 9-phenyl-2-spiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-ylcarbazole;3-N,3-N,6-N,6-N-tetraphenyl-3'-(5-quinolin-8-yl-3-pyridinyl)spiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3,6-diamine
• SMILES: c1ccc(-n2c3ccccc3c3ccc(-c4c5c(cc6c4-c4ccccc4C64c6ccccc6-c6ccccc64)-c4cccc6cccc-5c46)cc32)cc1.c1ccc(N(c2ccccc2)c2ccc3c(c2)-c2cc(N(c4ccccc4)c4ccccc4)ccc2C32c3ccccc3-c3c2cc2c(c3-c3cncc(-c4cccc5cccnc45)c3)-c3cccc4cccc-2c34)cc1
• InChI: InChI=1S/C73H46N4.C53H31N/c1-5-23-51(24-6-1)76(52-25-7-2-8-26-52)55-36-38-65-61(42-55)62-43-56(77(53-27-9-3-10-28-53)54-29-11-4-12-30-54)37-39-66(62)73(65)64-35-14-13-31-59(64)71-67(73)44-63-58-33-15-19-47-20-16-34-60(68(47)58)70(63)69(71)50-41-49(45-74-46-50)57-32-17-21-48-22-18-40-75-72(48)57;1-2-16-34(17-3-1)54-47-27-11-7-20-37(47)38-29-28-33(30-48(38)54)50-51-41-23-13-15-32-14-12-22-39(49(32)41)42(51)31-46-52(50)40-21-6-10-26-45(40)53(46)43-24-8-4-18-35(43)36-19-5-9-25-44(36)53/h1-46H;1-31H
• InChIKey: NQUPQLXFHLYBBL-UHFFFAOYSA-N
• XLogP: 32.64
• TPSA: 37.19 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1661.04
LogP ≤ 5	32.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-2-spiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-ylcarbazole;3-N,3-N,6-N,6-N-tetraphenyl-3'-(5-quinolin-8-yl-3-pyridinyl)spiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3,6-diamine?

The IUPAC name of 9-phenyl-2-spiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-ylcarbazole;3-N,3-N,6-N,6-N-tetraphenyl-3'-(5-quinolin-8-yl-3-pyridinyl)spiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3,6-diamine (CID 167630047) is 9-phenyl-2-spiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-ylcarbazole;3-N,3-N,6-N,6-N-tetraphenyl-3'-(5-quinolin-8-yl-3-pyridinyl)spiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3,6-diamine.

What is the SMILES notation for 9-phenyl-2-spiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-ylcarbazole;3-N,3-N,6-N,6-N-tetraphenyl-3'-(5-quinolin-8-yl-3-pyridinyl)spiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3,6-diamine?

The canonical SMILES for 9-phenyl-2-spiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-ylcarbazole;3-N,3-N,6-N,6-N-tetraphenyl-3'-(5-quinolin-8-yl-3-pyridinyl)spiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3,6-diamine is c1ccc(-n2c3ccccc3c3ccc(-c4c5c(cc6c4-c4ccccc4C64c6ccccc6-c6ccccc64)-c4cccc6cccc-5c46)cc32)cc1.c1ccc(N(c2ccccc2)c2ccc3c(c2)-c2cc(N(c4ccccc4)c4ccccc4)ccc2C32c3ccccc3-c3c2cc2c(c3-c3cncc(-c4cccc5cccnc45)c3)-c3cccc4cccc-2c34)cc1.

What is the InChIKey of 9-phenyl-2-spiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-ylcarbazole;3-N,3-N,6-N,6-N-tetraphenyl-3'-(5-quinolin-8-yl-3-pyridinyl)spiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3,6-diamine?

The InChIKey is NQUPQLXFHLYBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H46N4.C53H31N/c1-5-23-51(24-6-1)76(52-25-7-2-8-26-52)55-36-38-65-61(42-55)62-43-56(77(53-27-9-3-10-28-53)54-29-11-4-12-30-54)37-39-66(62)73(65)64-35-14-13-31-59(64)71-67(73)44-63-58-33-15-19-47-20-16-34-60(68(47)58)70(63)69(71)50-41-49(45-74-46-50)57-32-17-21-48-22-18-40-75-72(48)57;1-2-16-34(17-3-1)54-47-27-11-7-20-37(47)38-29-28-33(30-48(38)54)50-51-41-23-13-15-32-14-12-22-39(49(32)41)42(51)31-46-52(50)40-21-6-10-26-45(40)53(46)43-24-8-4-18-35(43)36-19-5-9-25-44(36)53/h1-46H;1-31H.

What are the key properties of 9-phenyl-2-spiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-ylcarbazole;3-N,3-N,6-N,6-N-tetraphenyl-3'-(5-quinolin-8-yl-3-pyridinyl)spiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3,6-diamine?

9-phenyl-2-spiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-ylcarbazole;3-N,3-N,6-N,6-N-tetraphenyl-3'-(5-quinolin-8-yl-3-pyridinyl)spiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3,6-diamine has a molecular weight of 1661.04 g/mol, XLogP of 32.64, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-phenyl-2-spiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-ylcarbazole;3-N,3-N,6-N,6-N-tetraphenyl-3'-(5-quinolin-8-yl-3-pyridinyl)spiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3,6-diamine is sourced from PubChem (CID 167630047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).