19,26-di(carbazol-9-yl)-8-(9H-fluoren-9-ylmethyl)-5,15-diphenyl-5,15-diazaheptacyclo[14.12.0.02,14.04,12.06,11.017,22.023,28]octacosa-1(28),2(14),3,6(11),7,9,12,16,18,20,22,24,26-tridecaene

C76H48N4 — CID 163692079

About 19,26-di(carbazol-9-yl)-8-(9H-fluoren-9-ylmethyl)-5,15-diphenyl-5,15-diazaheptacyclo[14.12.0.02,14.04,12.06,11.017,22.023,28]octacosa-1(28),2(14),3,6(11),7,9,12,16,18,20,22,24,26-tridecaene

19,26-di(carbazol-9-yl)-8-(9H-fluoren-9-ylmethyl)-5,15-diphenyl-5,15-diazaheptacyclo[14.12.0.02,14.04,12.06,11.017,22.023,28]octacosa-1(28),2(14),3,6(11),7,9,12,16,18,20,22,24,26-tridecaene (PubChem CID 163692079) has the molecular formula C76H48N4 and a molecular weight of 1017.25 g/mol. Its IUPAC name is 19,26-di(carbazol-9-yl)-8-(9H-fluoren-9-ylmethyl)-5,15-diphenyl-5,15-diazaheptacyclo[14.12.0.02,14.04,12.06,11.017,22.023,28]octacosa-1(28),2(14),3,6(11),7,9,12,16,18,20,22,24,26-tridecaene.

Molecular Properties

• Compound Name: 19,26-di(carbazol-9-yl)-8-(9H-fluoren-9-ylmethyl)-5,15-diphenyl-5,15-diazaheptacyclo[14.12.0.02,14.04,12.06,11.017,22.023,28]octacosa-1(28),2(14),3,6(11),7,9,12,16,18,20,22,24,26-tridecaene
• PubChem CID: 163692079
• Molecular Formula: C76H48N4
• Molecular Weight: 1017.25 g/mol
• Exact Mass: 1016.39
• IUPAC Name: 19,26-di(carbazol-9-yl)-8-(9H-fluoren-9-ylmethyl)-5,15-diphenyl-5,15-diazaheptacyclo[14.12.0.02,14.04,12.06,11.017,22.023,28]octacosa-1(28),2(14),3,6(11),7,9,12,16,18,20,22,24,26-tridecaene
• SMILES: c1ccc(-n2c3cc(CC4c5ccccc5-c5ccccc54)ccc3c3cc4c(cc32)c2c3cc(-n5c6ccccc6c6ccccc65)ccc3c3ccc(-n5c6ccccc6c6ccccc65)cc3c2n4-c2ccccc2)cc1
• InChI: InChI=1S/C76H48N4/c1-3-19-48(20-4-1)77-72-42-47(41-63-54-25-9-7-23-52(54)53-24-8-10-26-55(53)63)35-38-62(72)64-45-74-67(46-73(64)77)75-65-43-50(78-68-31-15-11-27-58(68)59-28-12-16-32-69(59)78)36-39-56(65)57-40-37-51(44-66(57)76(75)80(74)49-21-5-2-6-22-49)79-70-33-17-13-29-60(70)61-30-14-18-34-71(61)79/h1-40,42-46,63H,41H2
• InChIKey: JTVKNMSTPCLJTA-UHFFFAOYSA-N
• XLogP: 19.74
• TPSA: 19.72 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1017.25
LogP ≤ 5	19.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 19,26-di(carbazol-9-yl)-8-(9H-fluoren-9-ylmethyl)-5,15-diphenyl-5,15-diazaheptacyclo[14.12.0.02,14.04,12.06,11.017,22.023,28]octacosa-1(28),2(14),3,6(11),7,9,12,16,18,20,22,24,26-tridecaene?

The IUPAC name of 19,26-di(carbazol-9-yl)-8-(9H-fluoren-9-ylmethyl)-5,15-diphenyl-5,15-diazaheptacyclo[14.12.0.02,14.04,12.06,11.017,22.023,28]octacosa-1(28),2(14),3,6(11),7,9,12,16,18,20,22,24,26-tridecaene (CID 163692079) is 19,26-di(carbazol-9-yl)-8-(9H-fluoren-9-ylmethyl)-5,15-diphenyl-5,15-diazaheptacyclo[14.12.0.02,14.04,12.06,11.017,22.023,28]octacosa-1(28),2(14),3,6(11),7,9,12,16,18,20,22,24,26-tridecaene.

What is the SMILES notation for 19,26-di(carbazol-9-yl)-8-(9H-fluoren-9-ylmethyl)-5,15-diphenyl-5,15-diazaheptacyclo[14.12.0.02,14.04,12.06,11.017,22.023,28]octacosa-1(28),2(14),3,6(11),7,9,12,16,18,20,22,24,26-tridecaene?

The canonical SMILES for 19,26-di(carbazol-9-yl)-8-(9H-fluoren-9-ylmethyl)-5,15-diphenyl-5,15-diazaheptacyclo[14.12.0.02,14.04,12.06,11.017,22.023,28]octacosa-1(28),2(14),3,6(11),7,9,12,16,18,20,22,24,26-tridecaene is c1ccc(-n2c3cc(CC4c5ccccc5-c5ccccc54)ccc3c3cc4c(cc32)c2c3cc(-n5c6ccccc6c6ccccc65)ccc3c3ccc(-n5c6ccccc6c6ccccc65)cc3c2n4-c2ccccc2)cc1.

What is the InChIKey of 19,26-di(carbazol-9-yl)-8-(9H-fluoren-9-ylmethyl)-5,15-diphenyl-5,15-diazaheptacyclo[14.12.0.02,14.04,12.06,11.017,22.023,28]octacosa-1(28),2(14),3,6(11),7,9,12,16,18,20,22,24,26-tridecaene?

The InChIKey is JTVKNMSTPCLJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H48N4/c1-3-19-48(20-4-1)77-72-42-47(41-63-54-25-9-7-23-52(54)53-24-8-10-26-55(53)63)35-38-62(72)64-45-74-67(46-73(64)77)75-65-43-50(78-68-31-15-11-27-58(68)59-28-12-16-32-69(59)78)36-39-56(65)57-40-37-51(44-66(57)76(75)80(74)49-21-5-2-6-22-49)79-70-33-17-13-29-60(70)61-30-14-18-34-71(61)79/h1-40,42-46,63H,41H2.

What are the key properties of 19,26-di(carbazol-9-yl)-8-(9H-fluoren-9-ylmethyl)-5,15-diphenyl-5,15-diazaheptacyclo[14.12.0.02,14.04,12.06,11.017,22.023,28]octacosa-1(28),2(14),3,6(11),7,9,12,16,18,20,22,24,26-tridecaene?

19,26-di(carbazol-9-yl)-8-(9H-fluoren-9-ylmethyl)-5,15-diphenyl-5,15-diazaheptacyclo[14.12.0.02,14.04,12.06,11.017,22.023,28]octacosa-1(28),2(14),3,6(11),7,9,12,16,18,20,22,24,26-tridecaene has a molecular weight of 1017.25 g/mol, XLogP of 19.74, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 19,26-di(carbazol-9-yl)-8-(9H-fluoren-9-ylmethyl)-5,15-diphenyl-5,15-diazaheptacyclo[14.12.0.02,14.04,12.06,11.017,22.023,28]octacosa-1(28),2(14),3,6(11),7,9,12,16,18,20,22,24,26-tridecaene is sourced from PubChem (CID 163692079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).