4'-(9-naphthalen-2-ylcarbazol-3-yl)-5-[4-(3-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]-4'-ylcarbazol-9-yl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]

C102H60N4O2 — CID 135143734

About 4'-(9-naphthalen-2-ylcarbazol-3-yl)-5-[4-(3-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]-4'-ylcarbazol-9-yl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]

4'-(9-naphthalen-2-ylcarbazol-3-yl)-5-[4-(3-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]-4'-ylcarbazol-9-yl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-xanthene] (PubChem CID 135143734) has the molecular formula C102H60N4O2 and a molecular weight of 1373.63 g/mol. Its IUPAC name is 4'-(9-naphthalen-2-ylcarbazol-3-yl)-5-[4-(3-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]-4'-ylcarbazol-9-yl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-xanthene].

Molecular Properties

• Compound Name: 4'-(9-naphthalen-2-ylcarbazol-3-yl)-5-[4-(3-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]-4'-ylcarbazol-9-yl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]
• PubChem CID: 135143734
• Molecular Formula: C102H60N4O2
• Molecular Weight: 1373.63 g/mol
• Exact Mass: 1372.47
• IUPAC Name: 4'-(9-naphthalen-2-ylcarbazol-3-yl)-5-[4-(3-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]-4'-ylcarbazol-9-yl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]
• SMILES: c1ccc2c(c1)Oc1c(-c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4ccc5c(c4)c4cccc6c4n5-c4ccccc4C64c5ccccc5Oc5c(-c6ccc7c(c6)c6ccccc6n7-c6ccc7ccccc7c6)cccc54)cc3)cccc1C21c2ccccc2-n2c3ccccc3c3cccc1c32
• InChI: InChI=1S/C102H60N4O2/c1-2-22-63-57-68(53-47-61(63)21-1)104-88-39-11-5-25-73(88)77-60-66(50-56-91(77)104)70-27-18-37-86-100(70)108-96-44-16-9-33-82(96)102(86)80-31-7-14-42-94(80)106-92-54-48-64(58-78(92)75-29-20-35-84(102)98(75)106)62-45-51-67(52-46-62)103-87-38-10-4-24-72(87)76-59-65(49-55-90(76)103)69-26-17-36-85-99(69)107-95-43-15-8-32-81(95)101(85)79-30-6-13-41-93(79)105-89-40-12-3-23-71(89)74-28-19-34-83(101)97(74)105/h1-60H
• InChIKey: XGEWELXZVFUCJH-UHFFFAOYSA-N
• XLogP: 25.83
• TPSA: 38.18 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1373.63
LogP ≤ 5	25.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4'-(9-naphthalen-2-ylcarbazol-3-yl)-5-[4-(3-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]-4'-ylcarbazol-9-yl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]?

The IUPAC name of 4'-(9-naphthalen-2-ylcarbazol-3-yl)-5-[4-(3-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]-4'-ylcarbazol-9-yl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-xanthene] (CID 135143734) is 4'-(9-naphthalen-2-ylcarbazol-3-yl)-5-[4-(3-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]-4'-ylcarbazol-9-yl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-xanthene].

What is the SMILES notation for 4'-(9-naphthalen-2-ylcarbazol-3-yl)-5-[4-(3-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]-4'-ylcarbazol-9-yl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]?

The canonical SMILES for 4'-(9-naphthalen-2-ylcarbazol-3-yl)-5-[4-(3-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]-4'-ylcarbazol-9-yl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-xanthene] is c1ccc2c(c1)Oc1c(-c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4ccc5c(c4)c4cccc6c4n5-c4ccccc4C64c5ccccc5Oc5c(-c6ccc7c(c6)c6ccccc6n7-c6ccc7ccccc7c6)cccc54)cc3)cccc1C21c2ccccc2-n2c3ccccc3c3cccc1c32.

What is the InChIKey of 4'-(9-naphthalen-2-ylcarbazol-3-yl)-5-[4-(3-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]-4'-ylcarbazol-9-yl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]?

The InChIKey is XGEWELXZVFUCJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C102H60N4O2/c1-2-22-63-57-68(53-47-61(63)21-1)104-88-39-11-5-25-73(88)77-60-66(50-56-91(77)104)70-27-18-37-86-100(70)108-96-44-16-9-33-82(96)102(86)80-31-7-14-42-94(80)106-92-54-48-64(58-78(92)75-29-20-35-84(102)98(75)106)62-45-51-67(52-46-62)103-87-38-10-4-24-72(87)76-59-65(49-55-90(76)103)69-26-17-36-85-99(69)107-95-43-15-8-32-81(95)101(85)79-30-6-13-41-93(79)105-89-40-12-3-23-71(89)74-28-19-34-83(101)97(74)105/h1-60H.

What are the key properties of 4'-(9-naphthalen-2-ylcarbazol-3-yl)-5-[4-(3-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]-4'-ylcarbazol-9-yl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]?

4'-(9-naphthalen-2-ylcarbazol-3-yl)-5-[4-(3-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]-4'-ylcarbazol-9-yl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-xanthene] has a molecular weight of 1373.63 g/mol, XLogP of 25.83, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4'-(9-naphthalen-2-ylcarbazol-3-yl)-5-[4-(3-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]-4'-ylcarbazol-9-yl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-xanthene] is sourced from PubChem (CID 135143734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).