8-[2,3-bis(ethenyl)-4-[7-[(2Z,4Z)-hexa-2,4-dienyl]benzo[c]phenanthren-5-yl]naphthalen-1-yl]-9,10-bis(ethenyl)-6-phenylbenzo[c]phenanthridine

C65H47N — CID 129176284

IUPAC8-[2,3-bis(ethenyl)-4-[7-[(2Z,4Z)-hexa-2,4-dienyl]benzo[c]phenanthren-5-yl]naphthalen-1-yl]-9,10-bis(ethenyl)-6-phenylbenzo[c]phenanthridine
SMILESC=Cc1c(C=C)c(-c2cc3c(C/C=C\C=C/C)cc4ccccc4c3c3ccccc23)c2ccccc2c1-c1cc2c(-c3ccccc3)nc3c4ccccc4ccc3c2c(C=C)c1C=C
InChIInChI=1S/C65H47N/c1-6-11-12-14-28-44-38-43-29-18-19-30-49(43)63-52-33-22-21-32-51(52)58(39-56(44)63)61-48(10-5)47(9-4)60(53-34-23-24-35-54(53)61)57-40-59-62(46(8-3)45(57)7-2)55-37-36-41-25-17-20-31-50(41)65(55)66-64(59)42-26-15-13-16-27-42/h6-27,29-40H,2-5,28H2,1H3/b11-6-,14-12-
InChIKeyRJNVNSJZWXGIQH-ZKCBKFBFSA-N
MW842.10 g/mol
LogP18.40
Rot. Bonds10

About 8-[2,3-bis(ethenyl)-4-[7-[(2Z,4Z)-hexa-2,4-dienyl]benzo[c]phenanthren-5-yl]naphthalen-1-yl]-9,10-bis(ethenyl)-6-phenylbenzo[c]phenanthridine

8-[2,3-bis(ethenyl)-4-[7-[(2Z,4Z)-hexa-2,4-dienyl]benzo[c]phenanthren-5-yl]naphthalen-1-yl]-9,10-bis(ethenyl)-6-phenylbenzo[c]phenanthridine (PubChem CID 129176284) has the molecular formula C65H47N and a molecular weight of 842.10 g/mol. Its IUPAC name is 8-[2,3-bis(ethenyl)-4-[7-[(2Z,4Z)-hexa-2,4-dienyl]benzo[c]phenanthren-5-yl]naphthalen-1-yl]-9,10-bis(ethenyl)-6-phenylbenzo[c]phenanthridine.

Molecular Properties

Compound Name8-[2,3-bis(ethenyl)-4-[7-[(2Z,4Z)-hexa-2,4-dienyl]benzo[c]phenanthren-5-yl]naphthalen-1-yl]-9,10-bis(ethenyl)-6-phenylbenzo[c]phenanthridine
PubChem CID129176284
Molecular FormulaC65H47N
Molecular Weight842.10 g/mol
Exact Mass841.37
IUPAC Name8-[2,3-bis(ethenyl)-4-[7-[(2Z,4Z)-hexa-2,4-dienyl]benzo[c]phenanthren-5-yl]naphthalen-1-yl]-9,10-bis(ethenyl)-6-phenylbenzo[c]phenanthridine
SMILESC=Cc1c(C=C)c(-c2cc3c(C/C=C\C=C/C)cc4ccccc4c3c3ccccc23)c2ccccc2c1-c1cc2c(-c3ccccc3)nc3c4ccccc4ccc3c2c(C=C)c1C=C
InChIInChI=1S/C65H47N/c1-6-11-12-14-28-44-38-43-29-18-19-30-49(43)63-52-33-22-21-32-51(52)58(39-56(44)63)61-48(10-5)47(9-4)60(53-34-23-24-35-54(53)61)57-40-59-62(46(8-3)45(57)7-2)55-37-36-41-25-17-20-31-50(41)65(55)66-64(59)42-26-15-13-16-27-42/h6-27,29-40H,2-5,28H2,1H3/b11-6-,14-12-
InChIKeyRJNVNSJZWXGIQH-ZKCBKFBFSA-N
XLogP18.40
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500842.10
LogP ≤ 518.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 8-[2,3-bis(ethenyl)-4-[7-[(2Z,4Z)-hexa-2,4-dienyl]benzo[c]phenanthren-5-yl]naphthalen-1-yl]-9,10-bis(ethenyl)-6-phenylbenzo[c]phenanthridine with MolForge

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Related Compounds

4-[10-(12-phenyl-13-azapentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaen-9-yl)anthracen-9-yl]benzonitrile
CID 129182837
9-(4-diphenylphosphorylphenyl)-12-phenyl-13-azapentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene
CID 129176255
6-methyl-N-[2-methyl-4-[10-(12-phenyl-13-azapentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaen-9-yl)anthracen-9-yl]naphthalen-1-yl]cyclohexa-2,4-dien-1-imine
CID 129183041
12-phenyl-9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-13-azapentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene
CID 140788226
9-[2,3-bis(ethenyl)-4-phenanthren-9-ylnaphthalen-1-yl]phenanthrene
CID 143856224
ethane;4-ethenyl-2-(4-phenanthren-9-ylphenyl)-3-[(Z)-prop-1-enyl]phenanthrene
CID 143743010
3-ethenyl-4-methyl-2-(2-methylphenyl)benzo[h]quinoline
CID 166657802
6-(10-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl)-2,3-diphenylquinoxaline
CID 167087449
1,6-bis(10-phenylanthracen-9-yl)pyrene;methane;(3Z)-penta-1,3-diene
CID 143092811
4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenylbenzo[k]phenanthridine
CID 148540354
N-[(E)-2-[4-(13-azapentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaen-12-yl)-2-methyl-3-[(Z)-prop-1-enyl]naphthalen-1-yl]ethenyl]prop-2-en-1-imine
CID 129176388
6-(4-phenanthren-9-ylphenyl)-4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[k]phenanthridine
CID 155249489

Frequently Asked Questions

What is the IUPAC name of 8-[2,3-bis(ethenyl)-4-[7-[(2Z,4Z)-hexa-2,4-dienyl]benzo[c]phenanthren-5-yl]naphthalen-1-yl]-9,10-bis(ethenyl)-6-phenylbenzo[c]phenanthridine?
The IUPAC name of 8-[2,3-bis(ethenyl)-4-[7-[(2Z,4Z)-hexa-2,4-dienyl]benzo[c]phenanthren-5-yl]naphthalen-1-yl]-9,10-bis(ethenyl)-6-phenylbenzo[c]phenanthridine (CID 129176284) is 8-[2,3-bis(ethenyl)-4-[7-[(2Z,4Z)-hexa-2,4-dienyl]benzo[c]phenanthren-5-yl]naphthalen-1-yl]-9,10-bis(ethenyl)-6-phenylbenzo[c]phenanthridine.
What is the SMILES notation for 8-[2,3-bis(ethenyl)-4-[7-[(2Z,4Z)-hexa-2,4-dienyl]benzo[c]phenanthren-5-yl]naphthalen-1-yl]-9,10-bis(ethenyl)-6-phenylbenzo[c]phenanthridine?
The canonical SMILES for 8-[2,3-bis(ethenyl)-4-[7-[(2Z,4Z)-hexa-2,4-dienyl]benzo[c]phenanthren-5-yl]naphthalen-1-yl]-9,10-bis(ethenyl)-6-phenylbenzo[c]phenanthridine is C=Cc1c(C=C)c(-c2cc3c(C/C=C\C=C/C)cc4ccccc4c3c3ccccc23)c2ccccc2c1-c1cc2c(-c3ccccc3)nc3c4ccccc4ccc3c2c(C=C)c1C=C.
What is the InChIKey of 8-[2,3-bis(ethenyl)-4-[7-[(2Z,4Z)-hexa-2,4-dienyl]benzo[c]phenanthren-5-yl]naphthalen-1-yl]-9,10-bis(ethenyl)-6-phenylbenzo[c]phenanthridine?
The InChIKey is RJNVNSJZWXGIQH-ZKCBKFBFSA-N. The full InChI is InChI=1S/C65H47N/c1-6-11-12-14-28-44-38-43-29-18-19-30-49(43)63-52-33-22-21-32-51(52)58(39-56(44)63)61-48(10-5)47(9-4)60(53-34-23-24-35-54(53)61)57-40-59-62(46(8-3)45(57)7-2)55-37-36-41-25-17-20-31-50(41)65(55)66-64(59)42-26-15-13-16-27-42/h6-27,29-40H,2-5,28H2,1H3/b11-6-,14-12-.
What are the key properties of 8-[2,3-bis(ethenyl)-4-[7-[(2Z,4Z)-hexa-2,4-dienyl]benzo[c]phenanthren-5-yl]naphthalen-1-yl]-9,10-bis(ethenyl)-6-phenylbenzo[c]phenanthridine?
8-[2,3-bis(ethenyl)-4-[7-[(2Z,4Z)-hexa-2,4-dienyl]benzo[c]phenanthren-5-yl]naphthalen-1-yl]-9,10-bis(ethenyl)-6-phenylbenzo[c]phenanthridine has a molecular weight of 842.10 g/mol, XLogP of 18.40, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2,3-bis(ethenyl)-4-[7-[(2Z,4Z)-hexa-2,4-dienyl]benzo[c]phenanthren-5-yl]naphthalen-1-yl]-9,10-bis(ethenyl)-6-phenylbenzo[c]phenanthridine is sourced from PubChem (CID 129176284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).