9-(3,3-dimethyl-1,2-diphenylinden-5-yl)-10-phenanthren-4-ylanthracene

C51H36 — CID 58194554

IUPAC9-(3,3-dimethyl-1,2-diphenylinden-5-yl)-10-phenanthren-4-ylanthracene
SMILESCC1(C)C(c2ccccc2)=C(c2ccccc2)c2ccc(-c3c4ccccc4c(-c4cccc5ccc6ccccc6c45)c4ccccc34)cc21
InChIInChI=1S/C51H36/c1-51(2)45-32-37(30-31-43(45)48(34-17-5-3-6-18-34)50(51)36-19-7-4-8-20-36)47-39-23-11-13-25-41(39)49(42-26-14-12-24-40(42)47)44-27-15-21-35-29-28-33-16-9-10-22-38(33)46(35)44/h3-32H,1-2H3
InChIKeyUKIIUDSDNMFVBT-UHFFFAOYSA-N
MW648.85 g/mol
LogP13.88
Rot. Bonds4

About 9-(3,3-dimethyl-1,2-diphenylinden-5-yl)-10-phenanthren-4-ylanthracene

9-(3,3-dimethyl-1,2-diphenylinden-5-yl)-10-phenanthren-4-ylanthracene (PubChem CID 58194554) has the molecular formula C51H36 and a molecular weight of 648.85 g/mol. Its IUPAC name is 9-(3,3-dimethyl-1,2-diphenylinden-5-yl)-10-phenanthren-4-ylanthracene.

Molecular Properties

Compound Name9-(3,3-dimethyl-1,2-diphenylinden-5-yl)-10-phenanthren-4-ylanthracene
PubChem CID58194554
Molecular FormulaC51H36
Molecular Weight648.85 g/mol
Exact Mass648.28
IUPAC Name9-(3,3-dimethyl-1,2-diphenylinden-5-yl)-10-phenanthren-4-ylanthracene
SMILESCC1(C)C(c2ccccc2)=C(c2ccccc2)c2ccc(-c3c4ccccc4c(-c4cccc5ccc6ccccc6c45)c4ccccc34)cc21
InChIInChI=1S/C51H36/c1-51(2)45-32-37(30-31-43(45)48(34-17-5-3-6-18-34)50(51)36-19-7-4-8-20-36)47-39-23-11-13-25-41(39)49(42-26-14-12-24-40(42)47)44-27-15-21-35-29-28-33-16-9-10-22-38(33)46(35)44/h3-32H,1-2H3
InChIKeyUKIIUDSDNMFVBT-UHFFFAOYSA-N
XLogP13.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500648.85
LogP ≤ 513.88
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'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

9-phenanthren-4-yl-10-[6-(4-phenylphenyl)naphthalen-2-yl]anthracene
CID 58194550
9-(9,9-dimethylfluoren-2-yl)-10-naphthalen-1-ylanthracene;9-(9,9-dimethylfluoren-2-yl)-10-phenylanthracene;9,10-diphenylanthracene
CID 159887994
9-(9,9-dimethylfluoren-2-yl)-10-naphthalen-1-ylanthracene;9-(9,9-dimethylfluoren-2-yl)-10-naphthalen-2-ylanthracene;9-(9,9-dimethylfluoren-2-yl)-10-phenylanthracene;9,10-dinaphthalen-1-ylanthracene;9,10-diphenylanthracene;9-naphthalen-1-yl-10-naphthalen-2-ylanthracene
CID 165023412
8,8,13,13-tetramethyl-5,16-bis(10-naphthalen-1-ylanthracen-9-yl)hexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene
CID 59182479
7,7-dimethyl-9-naphthalen-2-yl-4-[10-(3-phenylphenyl)anthracen-9-yl]benzo[c]fluorene
CID 163838484
9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-(10-naphthalen-1-ylanthracen-9-yl)anthracene
CID 20822239
16,16-dimethyl-19-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-12-oxahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17(22),18,20-undecaene
CID 130189371
12-(9,9-dimethylfluoren-2-yl)-7-naphthalen-1-ylbenzo[k]fluoranthene
CID 59404102
9,9-dimethyl-7-phenanthren-4-yl-N,N-bis(4-phenylphenyl)fluoren-2-amine
CID 118369438
2-(10-benzo[a]anthracen-5-ylanthracen-9-yl)-6,6,12,12-tetramethylindeno[1,2-b]fluorene;5-(10-naphthalen-1-ylanthracen-9-yl)benzo[a]anthracene;bis(5-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracene);5-(10-phenylanthracen-9-yl)benzo[a]anthracene;5-(10-pyren-1-ylanthracen-9-yl)benzo[a]anthracene
CID 160542910
9,10-bis(9,9-dimethylfluoren-2-yl)-2-(10-phenylanthracen-9-yl)anthracene;9,10-dinaphthalen-2-yl-2-(10-naphthalen-1-ylanthracen-9-yl)anthracene;9,10-dinaphthalen-2-yl-2-(10-phenylanthracen-9-yl)anthracene;12-naphthalen-2-yl-7-(4-naphthalen-2-ylphenyl)benzo[a]anthracene
CID 159327894
11,11-dimethyl-2-(10-phenylanthracen-9-yl)benzo[b]fluorene;7,7-dimethyl-5-(10-phenylanthracen-9-yl)benzo[c]fluorene;7,7-dimethyl-9-[4-(10-phenylanthracen-9-yl)phenyl]benzo[c]fluorene
CID 160671642

Frequently Asked Questions

What is the IUPAC name of 9-(3,3-dimethyl-1,2-diphenylinden-5-yl)-10-phenanthren-4-ylanthracene?
The IUPAC name of 9-(3,3-dimethyl-1,2-diphenylinden-5-yl)-10-phenanthren-4-ylanthracene (CID 58194554) is 9-(3,3-dimethyl-1,2-diphenylinden-5-yl)-10-phenanthren-4-ylanthracene.
What is the SMILES notation for 9-(3,3-dimethyl-1,2-diphenylinden-5-yl)-10-phenanthren-4-ylanthracene?
The canonical SMILES for 9-(3,3-dimethyl-1,2-diphenylinden-5-yl)-10-phenanthren-4-ylanthracene is CC1(C)C(c2ccccc2)=C(c2ccccc2)c2ccc(-c3c4ccccc4c(-c4cccc5ccc6ccccc6c45)c4ccccc34)cc21.
What is the InChIKey of 9-(3,3-dimethyl-1,2-diphenylinden-5-yl)-10-phenanthren-4-ylanthracene?
The InChIKey is UKIIUDSDNMFVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H36/c1-51(2)45-32-37(30-31-43(45)48(34-17-5-3-6-18-34)50(51)36-19-7-4-8-20-36)47-39-23-11-13-25-41(39)49(42-26-14-12-24-40(42)47)44-27-15-21-35-29-28-33-16-9-10-22-38(33)46(35)44/h3-32H,1-2H3.
What are the key properties of 9-(3,3-dimethyl-1,2-diphenylinden-5-yl)-10-phenanthren-4-ylanthracene?
9-(3,3-dimethyl-1,2-diphenylinden-5-yl)-10-phenanthren-4-ylanthracene has a molecular weight of 648.85 g/mol, XLogP of 13.88, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3,3-dimethyl-1,2-diphenylinden-5-yl)-10-phenanthren-4-ylanthracene is sourced from PubChem (CID 58194554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).