6-[10-[6-(9-phenyl-7,8-dihydrocarbazol-3-yl)-1,2-dihydrocarbazol-9-yl]benzo[c]carbazol-7-yl]benzene-1,2,3,4,5-pentol

C52H37N3O5 — CID 144568695

IUPAC6-[10-[6-(9-phenyl-7,8-dihydrocarbazol-3-yl)-1,2-dihydrocarbazol-9-yl]benzo[c]carbazol-7-yl]benzene-1,2,3,4,5-pentol
SMILESOc1c(O)c(O)c(-n2c3ccc(-n4c5c(c6cc(-c7ccc8c(c7)c7c(n8-c8ccccc8)CCC=C7)ccc64)C=CCC5)cc3c3c4ccccc4ccc32)c(O)c1O
InChIInChI=1S/C52H37N3O5/c56-48-47(49(57)51(59)52(60)50(48)58)55-44-25-21-33(28-39(44)46-34-13-5-4-10-29(34)18-24-45(46)55)54-41-17-9-7-15-36(41)38-27-31(20-23-43(38)54)30-19-22-42-37(26-30)35-14-6-8-16-40(35)53(42)32-11-2-1-3-12-32/h1-7,10-15,18-28,56-60H,8-9,16-17H2
InChIKeyIQIBBKKCFQEPSH-UHFFFAOYSA-N
MW783.88 g/mol
LogP11.94
Rot. Bonds4

About 6-[10-[6-(9-phenyl-7,8-dihydrocarbazol-3-yl)-1,2-dihydrocarbazol-9-yl]benzo[c]carbazol-7-yl]benzene-1,2,3,4,5-pentol

6-[10-[6-(9-phenyl-7,8-dihydrocarbazol-3-yl)-1,2-dihydrocarbazol-9-yl]benzo[c]carbazol-7-yl]benzene-1,2,3,4,5-pentol (PubChem CID 144568695) has the molecular formula C52H37N3O5 and a molecular weight of 783.88 g/mol. Its IUPAC name is 6-[10-[6-(9-phenyl-7,8-dihydrocarbazol-3-yl)-1,2-dihydrocarbazol-9-yl]benzo[c]carbazol-7-yl]benzene-1,2,3,4,5-pentol.

Molecular Properties

Compound Name6-[10-[6-(9-phenyl-7,8-dihydrocarbazol-3-yl)-1,2-dihydrocarbazol-9-yl]benzo[c]carbazol-7-yl]benzene-1,2,3,4,5-pentol
PubChem CID144568695
Molecular FormulaC52H37N3O5
Molecular Weight783.88 g/mol
Exact Mass783.27
IUPAC Name6-[10-[6-(9-phenyl-7,8-dihydrocarbazol-3-yl)-1,2-dihydrocarbazol-9-yl]benzo[c]carbazol-7-yl]benzene-1,2,3,4,5-pentol
SMILESOc1c(O)c(O)c(-n2c3ccc(-n4c5c(c6cc(-c7ccc8c(c7)c7c(n8-c8ccccc8)CCC=C7)ccc64)C=CCC5)cc3c3c4ccccc4ccc32)c(O)c1O
InChIInChI=1S/C52H37N3O5/c56-48-47(49(57)51(59)52(60)50(48)58)55-44-25-21-33(28-39(44)46-34-13-5-4-10-29(34)18-24-45(46)55)54-41-17-9-7-15-36(41)38-27-31(20-23-43(38)54)30-19-22-42-37(26-30)35-14-6-8-16-40(35)53(42)32-11-2-1-3-12-32/h1-7,10-15,18-28,56-60H,8-9,16-17H2
InChIKeyIQIBBKKCFQEPSH-UHFFFAOYSA-N
XLogP11.94
TPSA115.94 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500783.88
LogP ≤ 511.94
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

3,9-diphenyl-6-(9-phenyl-7,8-dihydrocarbazol-3-yl)carbazole
CID 144650120
2-[7-[3-(9-phenyl-7,8-dihydrocarbazol-3-yl)carbazol-9-yl]phenanthren-4-yl]benzenethiol
CID 129054614
3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,8-dihydrocarbazol-3-yl]-9-phenylcarbazole
CID 67950571
9-(9,9-dimethylfluoren-2-yl)-3-(9-phenyl-7,8-dihydrocarbazol-3-yl)carbazole
CID 146564352
5-(4-phenylphenyl)-3,4-dihydrobenzo[b]carbazole
CID 144920025
12-(3-phenylphenyl)-16-(3-phenylquinoxalin-2-yl)-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),20,23-decaene
CID 139363596
9-phenyl-2-(9-phenyl-7,8-dihydrocarbazol-2-yl)carbazole
CID 144650170
6-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,8-dihydrocarbazol-2-yl]-11-(3-phenylphenyl)-6,11-diazapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),4,8,13,15,17,19-nonaene
CID 129303383
7-phenyl-10-[7-(3-phenylphenyl)benzo[c]carbazol-10-yl]benzo[c]carbazole
CID 129290171
6-phenyl-9-[8-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]dibenzofuran-2-yl]-1,2-dihydrocarbazole
CID 155111392
4-(4-diphenylphosphorylphenyl)-9-[3-(9-phenyl-7,8-dihydrocarbazol-3-yl)phenyl]carbazole
CID 163512685
6-[6-[9-[(9E)-11-methylidene-9-tricyclo[10.4.0.03,8]hexadeca-1(16),3,5,7,9,12,14-heptaenyl]-7,8-dihydrocarbazol-3-yl]-1,2-dihydrocarbazol-9-yl]benzene-1,2,3,4,5-pentol
CID 144568615

Frequently Asked Questions

What is the IUPAC name of 6-[10-[6-(9-phenyl-7,8-dihydrocarbazol-3-yl)-1,2-dihydrocarbazol-9-yl]benzo[c]carbazol-7-yl]benzene-1,2,3,4,5-pentol?
The IUPAC name of 6-[10-[6-(9-phenyl-7,8-dihydrocarbazol-3-yl)-1,2-dihydrocarbazol-9-yl]benzo[c]carbazol-7-yl]benzene-1,2,3,4,5-pentol (CID 144568695) is 6-[10-[6-(9-phenyl-7,8-dihydrocarbazol-3-yl)-1,2-dihydrocarbazol-9-yl]benzo[c]carbazol-7-yl]benzene-1,2,3,4,5-pentol.
What is the SMILES notation for 6-[10-[6-(9-phenyl-7,8-dihydrocarbazol-3-yl)-1,2-dihydrocarbazol-9-yl]benzo[c]carbazol-7-yl]benzene-1,2,3,4,5-pentol?
The canonical SMILES for 6-[10-[6-(9-phenyl-7,8-dihydrocarbazol-3-yl)-1,2-dihydrocarbazol-9-yl]benzo[c]carbazol-7-yl]benzene-1,2,3,4,5-pentol is Oc1c(O)c(O)c(-n2c3ccc(-n4c5c(c6cc(-c7ccc8c(c7)c7c(n8-c8ccccc8)CCC=C7)ccc64)C=CCC5)cc3c3c4ccccc4ccc32)c(O)c1O.
What is the InChIKey of 6-[10-[6-(9-phenyl-7,8-dihydrocarbazol-3-yl)-1,2-dihydrocarbazol-9-yl]benzo[c]carbazol-7-yl]benzene-1,2,3,4,5-pentol?
The InChIKey is IQIBBKKCFQEPSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H37N3O5/c56-48-47(49(57)51(59)52(60)50(48)58)55-44-25-21-33(28-39(44)46-34-13-5-4-10-29(34)18-24-45(46)55)54-41-17-9-7-15-36(41)38-27-31(20-23-43(38)54)30-19-22-42-37(26-30)35-14-6-8-16-40(35)53(42)32-11-2-1-3-12-32/h1-7,10-15,18-28,56-60H,8-9,16-17H2.
What are the key properties of 6-[10-[6-(9-phenyl-7,8-dihydrocarbazol-3-yl)-1,2-dihydrocarbazol-9-yl]benzo[c]carbazol-7-yl]benzene-1,2,3,4,5-pentol?
6-[10-[6-(9-phenyl-7,8-dihydrocarbazol-3-yl)-1,2-dihydrocarbazol-9-yl]benzo[c]carbazol-7-yl]benzene-1,2,3,4,5-pentol has a molecular weight of 783.88 g/mol, XLogP of 11.94, 4 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[10-[6-(9-phenyl-7,8-dihydrocarbazol-3-yl)-1,2-dihydrocarbazol-9-yl]benzo[c]carbazol-7-yl]benzene-1,2,3,4,5-pentol is sourced from PubChem (CID 144568695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).