5-fluoranthen-8-yl-9-phenyl-12-[4-[9-phenyl-4-(9-phenyl-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1,3,5,7,9,11,13-heptaen-5-yl)fluoren-9-yl]phenyl]-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1,3,5,7,9,11,13-heptaene

C₇₉H₄₆N₄ — CID 139396438

About 5-fluoranthen-8-yl-9-phenyl-12-[4-[9-phenyl-4-(9-phenyl-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1,3,5,7,9,11,13-heptaen-5-yl)fluoren-9-yl]phenyl]-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1,3,5,7,9,11,13-heptaene

5-fluoranthen-8-yl-9-phenyl-12-[4-[9-phenyl-4-(9-phenyl-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1,3,5,7,9,11,13-heptaen-5-yl)fluoren-9-yl]phenyl]-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1,3,5,7,9,11,13-heptaene (PubChem CID 139396438) has the molecular formula C₇₉H₄₆N₄ and a molecular weight of 1051.27 g/mol. Its IUPAC name is 5-fluoranthen-8-yl-9-phenyl-12-[4-[9-phenyl-4-(9-phenyl-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1,3,5,7,9,11,13-heptaen-5-yl)fluoren-9-yl]phenyl]-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1,3,5,7,9,11,13-heptaene.

Molecular Properties

• Compound Name: 5-fluoranthen-8-yl-9-phenyl-12-[4-[9-phenyl-4-(9-phenyl-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1,3,5,7,9,11,13-heptaen-5-yl)fluoren-9-yl]phenyl]-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1,3,5,7,9,11,13-heptaene
• PubChem CID: 139396438
• Molecular Formula: C₇₉H₄₆N₄
• Molecular Weight: 1051.27 g/mol
• Exact Mass: 1050.37
• IUPAC Name: 5-fluoranthen-8-yl-9-phenyl-12-[4-[9-phenyl-4-(9-phenyl-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1,3,5,7,9,11,13-heptaen-5-yl)fluoren-9-yl]phenyl]-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1,3,5,7,9,11,13-heptaene
• SMILES: c1ccc(-c2nc3cccc4c5ccc(-c6cccc7c6-c6ccccc6C7(c6ccccc6)c6ccc(-c7ccc8c9ccc(-c%10ccc%11c(c%10)-c%10cccc%12cccc-%11c%10%12)cc9c9c(-c%10ccccc%10)nc7n89)cc6)cc5c2n34)cc1
• InChI: InChI=1S/C79H46N4/c1-4-16-49(17-5-1)74-76-66-46-53(36-41-59(66)69-30-15-31-71(80-74)82(69)76)56-25-14-29-68-73(56)63-24-10-11-28-67(63)79(68,54-22-8-3-9-23-54)55-37-32-47(33-38-55)57-42-43-70-60-40-35-52(45-65(60)77-75(81-78(57)83(70)77)50-18-6-2-7-19-50)51-34-39-58-61-26-12-20-48-21-13-27-62(72(48)61)64(58)44-51/h1-46H
• InChIKey: KJXXCMPQCCJLSR-UHFFFAOYSA-N
• XLogP: 19.97
• TPSA: 34.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1051.27
LogP ≤ 5	19.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-fluoranthen-8-yl-9-phenyl-12-[4-[9-phenyl-4-(9-phenyl-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1,3,5,7,9,11,13-heptaen-5-yl)fluoren-9-yl]phenyl]-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1,3,5,7,9,11,13-heptaene?

The IUPAC name of 5-fluoranthen-8-yl-9-phenyl-12-[4-[9-phenyl-4-(9-phenyl-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1,3,5,7,9,11,13-heptaen-5-yl)fluoren-9-yl]phenyl]-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1,3,5,7,9,11,13-heptaene (CID 139396438) is 5-fluoranthen-8-yl-9-phenyl-12-[4-[9-phenyl-4-(9-phenyl-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1,3,5,7,9,11,13-heptaen-5-yl)fluoren-9-yl]phenyl]-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1,3,5,7,9,11,13-heptaene.

What is the SMILES notation for 5-fluoranthen-8-yl-9-phenyl-12-[4-[9-phenyl-4-(9-phenyl-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1,3,5,7,9,11,13-heptaen-5-yl)fluoren-9-yl]phenyl]-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1,3,5,7,9,11,13-heptaene?

The canonical SMILES for 5-fluoranthen-8-yl-9-phenyl-12-[4-[9-phenyl-4-(9-phenyl-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1,3,5,7,9,11,13-heptaen-5-yl)fluoren-9-yl]phenyl]-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1,3,5,7,9,11,13-heptaene is c1ccc(-c2nc3cccc4c5ccc(-c6cccc7c6-c6ccccc6C7(c6ccccc6)c6ccc(-c7ccc8c9ccc(-c%10ccc%11c(c%10)-c%10cccc%12cccc-%11c%10%12)cc9c9c(-c%10ccccc%10)nc7n89)cc6)cc5c2n34)cc1.

What is the InChIKey of 5-fluoranthen-8-yl-9-phenyl-12-[4-[9-phenyl-4-(9-phenyl-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1,3,5,7,9,11,13-heptaen-5-yl)fluoren-9-yl]phenyl]-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1,3,5,7,9,11,13-heptaene?

The InChIKey is KJXXCMPQCCJLSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C79H46N4/c1-4-16-49(17-5-1)74-76-66-46-53(36-41-59(66)69-30-15-31-71(80-74)82(69)76)56-25-14-29-68-73(56)63-24-10-11-28-67(63)79(68,54-22-8-3-9-23-54)55-37-32-47(33-38-55)57-42-43-70-60-40-35-52(45-65(60)77-75(81-78(57)83(70)77)50-18-6-2-7-19-50)51-34-39-58-61-26-12-20-48-21-13-27-62(72(48)61)64(58)44-51/h1-46H.

What are the key properties of 5-fluoranthen-8-yl-9-phenyl-12-[4-[9-phenyl-4-(9-phenyl-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1,3,5,7,9,11,13-heptaen-5-yl)fluoren-9-yl]phenyl]-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1,3,5,7,9,11,13-heptaene?

5-fluoranthen-8-yl-9-phenyl-12-[4-[9-phenyl-4-(9-phenyl-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1,3,5,7,9,11,13-heptaen-5-yl)fluoren-9-yl]phenyl]-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1,3,5,7,9,11,13-heptaene has a molecular weight of 1051.27 g/mol, XLogP of 19.97, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-fluoranthen-8-yl-9-phenyl-12-[4-[9-phenyl-4-(9-phenyl-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1,3,5,7,9,11,13-heptaen-5-yl)fluoren-9-yl]phenyl]-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1,3,5,7,9,11,13-heptaene is sourced from PubChem (CID 139396438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 139396438 — identifiers, structure, computed properties (public domain)

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