N-(17-carbazol-9-yl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)-N-phenyldibenzofuran-4-amine

C50H30N2O — CID 166032307

About N-(17-carbazol-9-yl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)-N-phenyldibenzofuran-4-amine

N-(17-carbazol-9-yl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)-N-phenyldibenzofuran-4-amine (PubChem CID 166032307) has the molecular formula C50H30N2O and a molecular weight of 674.80 g/mol. Its IUPAC name is N-(17-carbazol-9-yl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)-N-phenyldibenzofuran-4-amine.

Molecular Properties

• Compound Name: N-(17-carbazol-9-yl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)-N-phenyldibenzofuran-4-amine
• PubChem CID: 166032307
• Molecular Formula: C50H30N2O
• Molecular Weight: 674.80 g/mol
• Exact Mass: 674.24
• IUPAC Name: N-(17-carbazol-9-yl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)-N-phenyldibenzofuran-4-amine
• SMILES: c1ccc(N(c2ccc3cc4c(cc3c2)-c2cc3cc(-n5c6ccccc6c6ccccc65)ccc3cc2-4)c2cccc3c2oc2ccccc23)cc1
• InChI: InChI=1S/C50H30N2O/c1-2-11-35(12-3-1)51(48-19-10-16-41-40-15-6-9-20-49(40)53-50(41)48)36-23-21-31-27-42-43-28-32-22-24-37(26-34(32)30-45(43)44(42)29-33(31)25-36)52-46-17-7-4-13-38(46)39-14-5-8-18-47(39)52/h1-30H
• InChIKey: LQZMWGWMYIAMLT-UHFFFAOYSA-N
• XLogP: 14.11
• TPSA: 21.31 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	674.80
LogP ≤ 5	14.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-(17-carbazol-9-yl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)-N-phenyldibenzofuran-4-amine?

The IUPAC name of N-(17-carbazol-9-yl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)-N-phenyldibenzofuran-4-amine (CID 166032307) is N-(17-carbazol-9-yl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)-N-phenyldibenzofuran-4-amine.

What is the SMILES notation for N-(17-carbazol-9-yl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)-N-phenyldibenzofuran-4-amine?

The canonical SMILES for N-(17-carbazol-9-yl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)-N-phenyldibenzofuran-4-amine is c1ccc(N(c2ccc3cc4c(cc3c2)-c2cc3cc(-n5c6ccccc6c6ccccc65)ccc3cc2-4)c2cccc3c2oc2ccccc23)cc1.

What is the InChIKey of N-(17-carbazol-9-yl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)-N-phenyldibenzofuran-4-amine?

The InChIKey is LQZMWGWMYIAMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30N2O/c1-2-11-35(12-3-1)51(48-19-10-16-41-40-15-6-9-20-49(40)53-50(41)48)36-23-21-31-27-42-43-28-32-22-24-37(26-34(32)30-45(43)44(42)29-33(31)25-36)52-46-17-7-4-13-38(46)39-14-5-8-18-47(39)52/h1-30H.

What are the key properties of N-(17-carbazol-9-yl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)-N-phenyldibenzofuran-4-amine?

N-(17-carbazol-9-yl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)-N-phenyldibenzofuran-4-amine has a molecular weight of 674.80 g/mol, XLogP of 14.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(17-carbazol-9-yl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)-N-phenyldibenzofuran-4-amine is sourced from PubChem (CID 166032307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).