18-[9-[4-(5,6-dihydronaphthalen-2-yl)phenyl]carbazol-3-yl]-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8,10,12,15(20),16,18,21(25),22-dodecaene

C52H34N2 — CID 145085621

About 18-[9-[4-(5,6-dihydronaphthalen-2-yl)phenyl]carbazol-3-yl]-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8,10,12,15(20),16,18,21(25),22-dodecaene

18-[9-[4-(5,6-dihydronaphthalen-2-yl)phenyl]carbazol-3-yl]-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8,10,12,15(20),16,18,21(25),22-dodecaene (PubChem CID 145085621) has the molecular formula C52H34N2 and a molecular weight of 686.86 g/mol. Its IUPAC name is 18-[9-[4-(5,6-dihydronaphthalen-2-yl)phenyl]carbazol-3-yl]-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8,10,12,15(20),16,18,21(25),22-dodecaene.

Molecular Properties

• Compound Name: 18-[9-[4-(5,6-dihydronaphthalen-2-yl)phenyl]carbazol-3-yl]-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8,10,12,15(20),16,18,21(25),22-dodecaene
• PubChem CID: 145085621
• Molecular Formula: C52H34N2
• Molecular Weight: 686.86 g/mol
• Exact Mass: 686.27
• IUPAC Name: 18-[9-[4-(5,6-dihydronaphthalen-2-yl)phenyl]carbazol-3-yl]-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8,10,12,15(20),16,18,21(25),22-dodecaene
• SMILES: C1=Cc2cc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6cccc8c6n7-c6ccccc6-c6ccccc6-8)ccc54)cc3)ccc2CC1
• InChI: InChI=1S/C52H34N2/c1-2-11-35-30-36(21-20-33(35)10-1)34-22-26-39(27-23-34)53-48-18-7-6-15-43(48)46-31-37(24-28-50(46)53)38-25-29-51-47(32-38)45-17-9-16-44-41-13-4-3-12-40(41)42-14-5-8-19-49(42)54(51)52(44)45/h2-9,11-32H,1,10H2
• InChIKey: VWPAQIGXOKJEFR-UHFFFAOYSA-N
• XLogP: 13.82
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	686.86
LogP ≤ 5	13.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 18-[9-[4-(5,6-dihydronaphthalen-2-yl)phenyl]carbazol-3-yl]-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8,10,12,15(20),16,18,21(25),22-dodecaene?

The IUPAC name of 18-[9-[4-(5,6-dihydronaphthalen-2-yl)phenyl]carbazol-3-yl]-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8,10,12,15(20),16,18,21(25),22-dodecaene (CID 145085621) is 18-[9-[4-(5,6-dihydronaphthalen-2-yl)phenyl]carbazol-3-yl]-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8,10,12,15(20),16,18,21(25),22-dodecaene.

What is the SMILES notation for 18-[9-[4-(5,6-dihydronaphthalen-2-yl)phenyl]carbazol-3-yl]-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8,10,12,15(20),16,18,21(25),22-dodecaene?

The canonical SMILES for 18-[9-[4-(5,6-dihydronaphthalen-2-yl)phenyl]carbazol-3-yl]-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8,10,12,15(20),16,18,21(25),22-dodecaene is C1=Cc2cc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6cccc8c6n7-c6ccccc6-c6ccccc6-8)ccc54)cc3)ccc2CC1.

What is the InChIKey of 18-[9-[4-(5,6-dihydronaphthalen-2-yl)phenyl]carbazol-3-yl]-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8,10,12,15(20),16,18,21(25),22-dodecaene?

The InChIKey is VWPAQIGXOKJEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N2/c1-2-11-35-30-36(21-20-33(35)10-1)34-22-26-39(27-23-34)53-48-18-7-6-15-43(48)46-31-37(24-28-50(46)53)38-25-29-51-47(32-38)45-17-9-16-44-41-13-4-3-12-40(41)42-14-5-8-19-49(42)54(51)52(44)45/h2-9,11-32H,1,10H2.

What are the key properties of 18-[9-[4-(5,6-dihydronaphthalen-2-yl)phenyl]carbazol-3-yl]-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8,10,12,15(20),16,18,21(25),22-dodecaene?

18-[9-[4-(5,6-dihydronaphthalen-2-yl)phenyl]carbazol-3-yl]-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8,10,12,15(20),16,18,21(25),22-dodecaene has a molecular weight of 686.86 g/mol, XLogP of 13.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 18-[9-[4-(5,6-dihydronaphthalen-2-yl)phenyl]carbazol-3-yl]-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8,10,12,15(20),16,18,21(25),22-dodecaene is sourced from PubChem (CID 145085621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).