17'-benzo[c]phenanthren-5-ylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]

C51H30 — CID 140962833

About 17'-benzo[c]phenanthren-5-ylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]

17'-benzo[c]phenanthren-5-ylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene] (PubChem CID 140962833) has the molecular formula C51H30 and a molecular weight of 642.80 g/mol. Its IUPAC name is 17'-benzo[c]phenanthren-5-ylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene].

Molecular Properties

• Compound Name: 17'-benzo[c]phenanthren-5-ylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]
• PubChem CID: 140962833
• Molecular Formula: C51H30
• Molecular Weight: 642.80 g/mol
• Exact Mass: 642.23
• IUPAC Name: 17'-benzo[c]phenanthren-5-ylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]
• SMILES: c1ccc2c(c1)-c1ccccc1C21c2ccc3ccccc3c2-c2ccc3cc(-c4cc5ccc6ccccc6c5c5ccccc45)ccc3c21
• InChI: InChI=1S/C51H30/c1-3-13-36-31(11-1)21-22-35-30-44(39-15-5-6-18-42(39)48(35)36)34-23-26-38-33(29-34)24-27-43-49-37-14-4-2-12-32(37)25-28-47(49)51(50(38)43)45-19-9-7-16-40(45)41-17-8-10-20-46(41)51/h1-30H
• InChIKey: MMQQFQIJONIAGQ-UHFFFAOYSA-N
• XLogP: 13.46
• TPSA: 0.00 Ų
• Rotatable Bonds: 1
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	642.80
LogP ≤ 5	13.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 17'-benzo[c]phenanthren-5-ylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]?

The IUPAC name of 17'-benzo[c]phenanthren-5-ylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene] (CID 140962833) is 17'-benzo[c]phenanthren-5-ylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene].

What is the SMILES notation for 17'-benzo[c]phenanthren-5-ylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]?

The canonical SMILES for 17'-benzo[c]phenanthren-5-ylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene] is c1ccc2c(c1)-c1ccccc1C21c2ccc3ccccc3c2-c2ccc3cc(-c4cc5ccc6ccccc6c5c5ccccc45)ccc3c21.

What is the InChIKey of 17'-benzo[c]phenanthren-5-ylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]?

The InChIKey is MMQQFQIJONIAGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H30/c1-3-13-36-31(11-1)21-22-35-30-44(39-15-5-6-18-42(39)48(35)36)34-23-26-38-33(29-34)24-27-43-49-37-14-4-2-12-32(37)25-28-47(49)51(50(38)43)45-19-9-7-16-40(45)41-17-8-10-20-46(41)51/h1-30H.

What are the key properties of 17'-benzo[c]phenanthren-5-ylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]?

17'-benzo[c]phenanthren-5-ylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene] has a molecular weight of 642.80 g/mol, XLogP of 13.46, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 17'-benzo[c]phenanthren-5-ylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene] is sourced from PubChem (CID 140962833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).