9-(10-phenanthren-9-ylanthracen-9-yl)-7H-benzo[c]fluorene

C45H28 — CID 160788776

IUPAC9-(10-phenanthren-9-ylanthracen-9-yl)-7H-benzo[c]fluorene
SMILESc1ccc2c3c(ccc2c1)Cc1cc(-c2c4ccccc4c(-c4cc5ccccc5c5ccccc45)c4ccccc24)ccc1-3
InChIInChI=1S/C45H28/c1-4-14-34-28(11-1)21-22-30-25-32-26-31(23-24-35(32)43(30)34)44-38-17-7-9-19-40(38)45(41-20-10-8-18-39(41)44)42-27-29-12-2-3-13-33(29)36-15-5-6-16-37(36)42/h1-24,26-27H,25H2
InChIKeyDBNUOJZDNGLBPW-UHFFFAOYSA-N
MW568.72 g/mol
LogP12.36
Rot. Bonds2

About 9-(10-phenanthren-9-ylanthracen-9-yl)-7H-benzo[c]fluorene

9-(10-phenanthren-9-ylanthracen-9-yl)-7H-benzo[c]fluorene (PubChem CID 160788776) has the molecular formula C45H28 and a molecular weight of 568.72 g/mol. Its IUPAC name is 9-(10-phenanthren-9-ylanthracen-9-yl)-7H-benzo[c]fluorene.

Molecular Properties

Compound Name9-(10-phenanthren-9-ylanthracen-9-yl)-7H-benzo[c]fluorene
PubChem CID160788776
Molecular FormulaC45H28
Molecular Weight568.72 g/mol
Exact Mass568.22
IUPAC Name9-(10-phenanthren-9-ylanthracen-9-yl)-7H-benzo[c]fluorene
SMILESc1ccc2c3c(ccc2c1)Cc1cc(-c2c4ccccc4c(-c4cc5ccccc5c5ccccc45)c4ccccc24)ccc1-3
InChIInChI=1S/C45H28/c1-4-14-34-28(11-1)21-22-30-25-32-26-31(23-24-35(32)43(30)34)44-38-17-7-9-19-40(38)45(41-20-10-8-18-39(41)44)42-27-29-12-2-3-13-33(29)36-15-5-6-16-37(36)42/h1-24,26-27H,25H2
InChIKeyDBNUOJZDNGLBPW-UHFFFAOYSA-N
XLogP12.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.72
LogP ≤ 512.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

3-(10-naphthalen-1-ylanthracen-9-yl)-5,6-dihydrobenzo[c]phenanthrene
CID 144726296
9-phenanthren-9-yl-10-(4-phenanthren-9-ylphenyl)anthracene
CID 59793080
9-phenanthren-9-yl-10-[4-(10-phenanthren-9-ylanthracen-9-yl)naphthalen-1-yl]anthracene
CID 59858844
9-phenanthren-9-yl-10-phenylanthracene
CID 59592440
9-(7-naphthalen-1-ylnaphthalen-2-yl)-10-phenanthren-9-ylanthracene
CID 123428518
9-naphthalen-2-yl-10-[3-(7-phenyl-9H-fluoren-2-yl)phenyl]anthracene
CID 59725438
6-butylpentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene
CID 158149604
undecacyclo[22.18.0.03,22.04,20.06,18.08,17.011,16.025,41.028,40.029,38.030,35]dotetraconta-1(24),2,4(20),5,8(17),9,11,13,15,18,22,25(41),26,28(40),29(38),30,32,34,36-nonadecaene
CID 159117646
9-phenanthren-9-yl-10-(4-phenylnaphthalen-1-yl)anthracene
CID 58895447
9-(9H-fluoren-2-yl)-10-phenylanthracene
CID 59866453
9-(4-tert-butylphenyl)-10-phenanthren-9-ylanthracene
CID 59592442
7-phenanthren-9-yl-4-[4-(7-phenanthren-9-ylbenzo[a]anthracen-4-yl)phenyl]benzo[a]anthracene
CID 59412684

Frequently Asked Questions

What is the IUPAC name of 9-(10-phenanthren-9-ylanthracen-9-yl)-7H-benzo[c]fluorene?
The IUPAC name of 9-(10-phenanthren-9-ylanthracen-9-yl)-7H-benzo[c]fluorene (CID 160788776) is 9-(10-phenanthren-9-ylanthracen-9-yl)-7H-benzo[c]fluorene.
What is the SMILES notation for 9-(10-phenanthren-9-ylanthracen-9-yl)-7H-benzo[c]fluorene?
The canonical SMILES for 9-(10-phenanthren-9-ylanthracen-9-yl)-7H-benzo[c]fluorene is c1ccc2c3c(ccc2c1)Cc1cc(-c2c4ccccc4c(-c4cc5ccccc5c5ccccc45)c4ccccc24)ccc1-3.
What is the InChIKey of 9-(10-phenanthren-9-ylanthracen-9-yl)-7H-benzo[c]fluorene?
The InChIKey is DBNUOJZDNGLBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H28/c1-4-14-34-28(11-1)21-22-30-25-32-26-31(23-24-35(32)43(30)34)44-38-17-7-9-19-40(38)45(41-20-10-8-18-39(41)44)42-27-29-12-2-3-13-33(29)36-15-5-6-16-37(36)42/h1-24,26-27H,25H2.
What are the key properties of 9-(10-phenanthren-9-ylanthracen-9-yl)-7H-benzo[c]fluorene?
9-(10-phenanthren-9-ylanthracen-9-yl)-7H-benzo[c]fluorene has a molecular weight of 568.72 g/mol, XLogP of 12.36, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(10-phenanthren-9-ylanthracen-9-yl)-7H-benzo[c]fluorene is sourced from PubChem (CID 160788776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).