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

C59H35N3O — CID 134351624

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

13'-(9-naphthalen-2-ylcarbazol-3-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,7'-chromeno[2,3-a]carbazole] (PubChem CID 134351624) has the molecular formula C59H35N3O and a molecular weight of 801.95 g/mol. Its IUPAC name is 13'-(9-naphthalen-2-ylcarbazol-3-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,7'-chromeno[2,3-a]carbazole].

Molecular Properties

• Compound Name: 13'-(9-naphthalen-2-ylcarbazol-3-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,7'-chromeno[2,3-a]carbazole]
• PubChem CID: 134351624
• Molecular Formula: C59H35N3O
• Molecular Weight: 801.95 g/mol
• Exact Mass: 801.28
• IUPAC Name: 13'-(9-naphthalen-2-ylcarbazol-3-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,7'-chromeno[2,3-a]carbazole]
• SMILES: c1ccc2c(c1)Oc1c(ccc3c4ccccc4n(-c4ccc5c(c4)c4ccccc4n5-c4ccc5ccccc5c4)c13)C21c2ccccc2-n2c3ccccc3c3cccc1c32
• InChI: InChI=1S/C59H35N3O/c1-2-15-37-34-38(29-28-36(37)14-1)60-50-23-8-5-18-42(50)45-35-39(30-33-53(45)60)61-51-24-9-3-17-41(51)44-31-32-49-58(57(44)61)63-55-27-12-7-21-47(55)59(49)46-20-6-11-26-54(46)62-52-25-10-4-16-40(52)43-19-13-22-48(59)56(43)62/h1-35H
• InChIKey: PLADNBPVTDIYQC-UHFFFAOYSA-N
• XLogP: 14.93
• TPSA: 24.02 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	801.95
LogP ≤ 5	14.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 13'-(9-naphthalen-2-ylcarbazol-3-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,7'-chromeno[2,3-a]carbazole] (CID 134351624) is 13'-(9-naphthalen-2-ylcarbazol-3-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,7'-chromeno[2,3-a]carbazole].

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

The canonical SMILES for 13'-(9-naphthalen-2-ylcarbazol-3-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,7'-chromeno[2,3-a]carbazole] is c1ccc2c(c1)Oc1c(ccc3c4ccccc4n(-c4ccc5c(c4)c4ccccc4n5-c4ccc5ccccc5c4)c13)C21c2ccccc2-n2c3ccccc3c3cccc1c32.

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

The InChIKey is PLADNBPVTDIYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H35N3O/c1-2-15-37-34-38(29-28-36(37)14-1)60-50-23-8-5-18-42(50)45-35-39(30-33-53(45)60)61-51-24-9-3-17-41(51)44-31-32-49-58(57(44)61)63-55-27-12-7-21-47(55)59(49)46-20-6-11-26-54(46)62-52-25-10-4-16-40(52)43-19-13-22-48(59)56(43)62/h1-35H.

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

13'-(9-naphthalen-2-ylcarbazol-3-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,7'-chromeno[2,3-a]carbazole] has a molecular weight of 801.95 g/mol, XLogP of 14.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 13'-(9-naphthalen-2-ylcarbazol-3-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,7'-chromeno[2,3-a]carbazole] is sourced from PubChem (CID 134351624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).