27-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]-18-azaheptacyclo[16.10.1.02,11.04,9.012,17.019,24.025,29]nonacosa-1(28),2,4,6,8,10,12,14,16,19,21,23,25(29),26-tetradecaene

C58H36N2 — CID 121355785

About 27-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]-18-azaheptacyclo[16.10.1.02,11.04,9.012,17.019,24.025,29]nonacosa-1(28),2,4,6,8,10,12,14,16,19,21,23,25(29),26-tetradecaene

27-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]-18-azaheptacyclo[16.10.1.02,11.04,9.012,17.019,24.025,29]nonacosa-1(28),2,4,6,8,10,12,14,16,19,21,23,25(29),26-tetradecaene (PubChem CID 121355785) has the molecular formula C58H36N2 and a molecular weight of 760.94 g/mol. Its IUPAC name is 27-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]-18-azaheptacyclo[16.10.1.02,11.04,9.012,17.019,24.025,29]nonacosa-1(28),2,4,6,8,10,12,14,16,19,21,23,25(29),26-tetradecaene.

Molecular Properties

• Compound Name: 27-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]-18-azaheptacyclo[16.10.1.02,11.04,9.012,17.019,24.025,29]nonacosa-1(28),2,4,6,8,10,12,14,16,19,21,23,25(29),26-tetradecaene
• PubChem CID: 121355785
• Molecular Formula: C58H36N2
• Molecular Weight: 760.94 g/mol
• Exact Mass: 760.29
• IUPAC Name: 27-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]-18-azaheptacyclo[16.10.1.02,11.04,9.012,17.019,24.025,29]nonacosa-1(28),2,4,6,8,10,12,14,16,19,21,23,25(29),26-tetradecaene
• SMILES: c1ccc(-c2cccc(-c3ccc(-n4c5ccccc5c5cc(-c6cc7c8c(c6)c6ccccc6n8-c6ccccc6-c6cc8ccccc8cc6-7)ccc54)cc3)c2)cc1
• InChI: InChI=1S/C58H36N2/c1-2-13-37(14-3-1)39-17-12-18-40(31-39)38-25-28-45(29-26-38)59-54-22-9-7-20-47(54)51-34-43(27-30-57(51)59)44-35-52-48-21-8-11-24-56(48)60-55-23-10-6-19-46(55)49-32-41-15-4-5-16-42(41)33-50(49)53(36-44)58(52)60/h1-36H
• InChIKey: YCKUYRJLTQVGEJ-UHFFFAOYSA-N
• XLogP: 15.68
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	760.94
LogP ≤ 5	15.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 27-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]-18-azaheptacyclo[16.10.1.02,11.04,9.012,17.019,24.025,29]nonacosa-1(28),2,4,6,8,10,12,14,16,19,21,23,25(29),26-tetradecaene?

The IUPAC name of 27-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]-18-azaheptacyclo[16.10.1.02,11.04,9.012,17.019,24.025,29]nonacosa-1(28),2,4,6,8,10,12,14,16,19,21,23,25(29),26-tetradecaene (CID 121355785) is 27-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]-18-azaheptacyclo[16.10.1.02,11.04,9.012,17.019,24.025,29]nonacosa-1(28),2,4,6,8,10,12,14,16,19,21,23,25(29),26-tetradecaene.

What is the SMILES notation for 27-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]-18-azaheptacyclo[16.10.1.02,11.04,9.012,17.019,24.025,29]nonacosa-1(28),2,4,6,8,10,12,14,16,19,21,23,25(29),26-tetradecaene?

The canonical SMILES for 27-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]-18-azaheptacyclo[16.10.1.02,11.04,9.012,17.019,24.025,29]nonacosa-1(28),2,4,6,8,10,12,14,16,19,21,23,25(29),26-tetradecaene is c1ccc(-c2cccc(-c3ccc(-n4c5ccccc5c5cc(-c6cc7c8c(c6)c6ccccc6n8-c6ccccc6-c6cc8ccccc8cc6-7)ccc54)cc3)c2)cc1.

What is the InChIKey of 27-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]-18-azaheptacyclo[16.10.1.02,11.04,9.012,17.019,24.025,29]nonacosa-1(28),2,4,6,8,10,12,14,16,19,21,23,25(29),26-tetradecaene?

The InChIKey is YCKUYRJLTQVGEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H36N2/c1-2-13-37(14-3-1)39-17-12-18-40(31-39)38-25-28-45(29-26-38)59-54-22-9-7-20-47(54)51-34-43(27-30-57(51)59)44-35-52-48-21-8-11-24-56(48)60-55-23-10-6-19-46(55)49-32-41-15-4-5-16-42(41)33-50(49)53(36-44)58(52)60/h1-36H.

What are the key properties of 27-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]-18-azaheptacyclo[16.10.1.02,11.04,9.012,17.019,24.025,29]nonacosa-1(28),2,4,6,8,10,12,14,16,19,21,23,25(29),26-tetradecaene?

27-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]-18-azaheptacyclo[16.10.1.02,11.04,9.012,17.019,24.025,29]nonacosa-1(28),2,4,6,8,10,12,14,16,19,21,23,25(29),26-tetradecaene has a molecular weight of 760.94 g/mol, XLogP of 15.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 27-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]-18-azaheptacyclo[16.10.1.02,11.04,9.012,17.019,24.025,29]nonacosa-1(28),2,4,6,8,10,12,14,16,19,21,23,25(29),26-tetradecaene is sourced from PubChem (CID 121355785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).