3-(9-phenylcarbazol-3-yl)-8-[(9S)-9-phenyl-9,10-dihydrophenanthren-3-yl]benzo[c]chromen-6-one

C51H33NO2 — CID 145050072

IUPAC3-(9-phenylcarbazol-3-yl)-8-[(9S)-9-phenyl-9,10-dihydrophenanthren-3-yl]benzo[c]chromen-6-one
SMILESO=c1oc2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc2c2ccc(-c3ccc4c(c3)-c3ccccc3[C@H](c3ccccc3)C4)cc12
InChIInChI=1S/C51H33NO2/c53-51-47-29-34(33-19-20-37-30-44(32-11-3-1-4-12-32)39-15-7-8-16-40(39)45(37)27-33)21-24-41(47)43-25-22-36(31-50(43)54-51)35-23-26-49-46(28-35)42-17-9-10-18-48(42)52(49)38-13-5-2-6-14-38/h1-29,31,44H,30H2/t44-/m0/s1
InChIKeyNYYNRXVCCOPBSY-SJARJILFSA-N
MW691.83 g/mol
LogP12.73
Rot. Bonds4

About 3-(9-phenylcarbazol-3-yl)-8-[(9S)-9-phenyl-9,10-dihydrophenanthren-3-yl]benzo[c]chromen-6-one

3-(9-phenylcarbazol-3-yl)-8-[(9S)-9-phenyl-9,10-dihydrophenanthren-3-yl]benzo[c]chromen-6-one (PubChem CID 145050072) has the molecular formula C51H33NO2 and a molecular weight of 691.83 g/mol. Its IUPAC name is 3-(9-phenylcarbazol-3-yl)-8-[(9S)-9-phenyl-9,10-dihydrophenanthren-3-yl]benzo[c]chromen-6-one.

Molecular Properties

Compound Name3-(9-phenylcarbazol-3-yl)-8-[(9S)-9-phenyl-9,10-dihydrophenanthren-3-yl]benzo[c]chromen-6-one
PubChem CID145050072
Molecular FormulaC51H33NO2
Molecular Weight691.83 g/mol
Exact Mass691.25
IUPAC Name3-(9-phenylcarbazol-3-yl)-8-[(9S)-9-phenyl-9,10-dihydrophenanthren-3-yl]benzo[c]chromen-6-one
SMILESO=c1oc2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc2c2ccc(-c3ccc4c(c3)-c3ccccc3[C@H](c3ccccc3)C4)cc12
InChIInChI=1S/C51H33NO2/c53-51-47-29-34(33-19-20-37-30-44(32-11-3-1-4-12-32)39-15-7-8-16-40(39)45(37)27-33)21-24-41(47)43-25-22-36(31-50(43)54-51)35-23-26-49-46(28-35)42-17-9-10-18-48(42)52(49)38-13-5-2-6-14-38/h1-29,31,44H,30H2/t44-/m0/s1
InChIKeyNYYNRXVCCOPBSY-SJARJILFSA-N
XLogP12.73
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500691.83
LogP ≤ 512.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

8-methyl-3-(9-phenylcarbazol-3-yl)benzo[c]chromen-6-one
CID 145049959
8-(4-carbazol-9-ylphenyl)benzo[c]chromen-6-one;8-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]benzo[c]chromen-6-one
CID 158033258
3-(10-dibenzofuran-1-yl-9,10-dihydrophenanthren-3-yl)-9-phenylcarbazole
CID 167289243
8-dibenzofuran-2-yl-3-(9-phenylcarbazol-2-yl)benzo[c]chromen-6-one
CID 121242474
9-phenyl-3-[7-(9-phenylcarbazol-3-yl)dibenzofuran-3-yl]carbazole
CID 118565554
6-(9-phenylcarbazol-3-yl)-1-(9-phenyl-9H-fluoren-3-yl)xanthen-9-one
CID 135232595
3-[3-[4-[4,6-bis(3,5-diphenylphenyl)pyrimidin-2-yl]phenyl]-5-[9-(3,5-diphenylphenyl)-9,10-dihydrophenanthren-3-yl]phenyl]-9-(3,5-diphenylphenyl)carbazole
CID 126728057
3-(10-methyl-9-phenyl-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)-9-(3-phenylphenyl)carbazole
CID 169131711
9-[4-(8-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaenyl)phenyl]-3-triphenylen-2-ylcarbazole
CID 131969711
10-phenyl-7-(9-phenylcarbazol-2-yl)-14-oxa-10-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4(9),5,7,12,16,18,20-nonaen-15-one
CID 118248537
8-dibenzothiophen-1-yl-3-[9-phenyl-6-[9-(2-phenylethyl)-9H-fluoren-3-yl]carbazol-3-yl]benzo[c]chromen-6-one
CID 145049967
3-[6-(9-bromo-5a,6-dihydrodibenzofuran-2-yl)-9-phenyl-9,10-dihydrophenanthren-3-yl]-9-phenylcarbazole
CID 123277843

Frequently Asked Questions

What is the IUPAC name of 3-(9-phenylcarbazol-3-yl)-8-[(9S)-9-phenyl-9,10-dihydrophenanthren-3-yl]benzo[c]chromen-6-one?
The IUPAC name of 3-(9-phenylcarbazol-3-yl)-8-[(9S)-9-phenyl-9,10-dihydrophenanthren-3-yl]benzo[c]chromen-6-one (CID 145050072) is 3-(9-phenylcarbazol-3-yl)-8-[(9S)-9-phenyl-9,10-dihydrophenanthren-3-yl]benzo[c]chromen-6-one.
What is the SMILES notation for 3-(9-phenylcarbazol-3-yl)-8-[(9S)-9-phenyl-9,10-dihydrophenanthren-3-yl]benzo[c]chromen-6-one?
The canonical SMILES for 3-(9-phenylcarbazol-3-yl)-8-[(9S)-9-phenyl-9,10-dihydrophenanthren-3-yl]benzo[c]chromen-6-one is O=c1oc2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc2c2ccc(-c3ccc4c(c3)-c3ccccc3[C@H](c3ccccc3)C4)cc12.
What is the InChIKey of 3-(9-phenylcarbazol-3-yl)-8-[(9S)-9-phenyl-9,10-dihydrophenanthren-3-yl]benzo[c]chromen-6-one?
The InChIKey is NYYNRXVCCOPBSY-SJARJILFSA-N. The full InChI is InChI=1S/C51H33NO2/c53-51-47-29-34(33-19-20-37-30-44(32-11-3-1-4-12-32)39-15-7-8-16-40(39)45(37)27-33)21-24-41(47)43-25-22-36(31-50(43)54-51)35-23-26-49-46(28-35)42-17-9-10-18-48(42)52(49)38-13-5-2-6-14-38/h1-29,31,44H,30H2/t44-/m0/s1.
What are the key properties of 3-(9-phenylcarbazol-3-yl)-8-[(9S)-9-phenyl-9,10-dihydrophenanthren-3-yl]benzo[c]chromen-6-one?
3-(9-phenylcarbazol-3-yl)-8-[(9S)-9-phenyl-9,10-dihydrophenanthren-3-yl]benzo[c]chromen-6-one has a molecular weight of 691.83 g/mol, XLogP of 12.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9-phenylcarbazol-3-yl)-8-[(9S)-9-phenyl-9,10-dihydrophenanthren-3-yl]benzo[c]chromen-6-one is sourced from PubChem (CID 145050072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).