11,11-dimethyl-10-[4-[10-(2-phenanthren-9-ylphenyl)anthracen-9-yl]phenyl]benzo[a]fluorene

C59H40 — CID 144802961

IUPAC11,11-dimethyl-10-[4-[10-(2-phenanthren-9-ylphenyl)anthracen-9-yl]phenyl]benzo[a]fluorene
SMILESCC1(C)c2c(-c3ccc(-c4c5ccccc5c(-c5ccccc5-c5cc6ccccc6c6ccccc56)c5ccccc45)cc3)cccc2-c2ccc3ccccc3c21
InChIInChI=1S/C59H40/c1-59(2)57-43(28-15-29-52(57)53-35-34-37-16-3-6-19-42(37)58(53)59)38-30-32-39(33-31-38)55-48-24-11-13-26-50(48)56(51-27-14-12-25-49(51)55)47-23-10-9-22-46(47)54-36-40-17-4-5-18-41(40)44-20-7-8-21-45(44)54/h3-36H,1-2H3
InChIKeyBOVGWJCWHSYUQW-UHFFFAOYSA-N
MW748.97 g/mol
LogP16.43
Rot. Bonds4

About 11,11-dimethyl-10-[4-[10-(2-phenanthren-9-ylphenyl)anthracen-9-yl]phenyl]benzo[a]fluorene

11,11-dimethyl-10-[4-[10-(2-phenanthren-9-ylphenyl)anthracen-9-yl]phenyl]benzo[a]fluorene (PubChem CID 144802961) has the molecular formula C59H40 and a molecular weight of 748.97 g/mol. Its IUPAC name is 11,11-dimethyl-10-[4-[10-(2-phenanthren-9-ylphenyl)anthracen-9-yl]phenyl]benzo[a]fluorene.

Molecular Properties

Compound Name11,11-dimethyl-10-[4-[10-(2-phenanthren-9-ylphenyl)anthracen-9-yl]phenyl]benzo[a]fluorene
PubChem CID144802961
Molecular FormulaC59H40
Molecular Weight748.97 g/mol
Exact Mass748.31
IUPAC Name11,11-dimethyl-10-[4-[10-(2-phenanthren-9-ylphenyl)anthracen-9-yl]phenyl]benzo[a]fluorene
SMILESCC1(C)c2c(-c3ccc(-c4c5ccccc5c(-c5ccccc5-c5cc6ccccc6c6ccccc56)c5ccccc45)cc3)cccc2-c2ccc3ccccc3c21
InChIInChI=1S/C59H40/c1-59(2)57-43(28-15-29-52(57)53-35-34-37-16-3-6-19-42(37)58(53)59)38-30-32-39(33-31-38)55-48-24-11-13-26-50(48)56(51-27-14-12-25-49(51)55)47-23-10-9-22-46(47)54-36-40-17-4-5-18-41(40)44-20-7-8-21-45(44)54/h3-36H,1-2H3
InChIKeyBOVGWJCWHSYUQW-UHFFFAOYSA-N
XLogP16.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500748.97
LogP ≤ 516.43
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

5-[10-[4-(11,11-dimethylbenzo[a]fluoren-10-yl)phenyl]anthracen-9-yl]benzo[c]phenanthrene;11,11-dimethyl-10-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]benzo[a]fluorene;11,11-dimethyl-10-[4-(10-phenanthren-9-ylanthracen-9-yl)phenyl]benzo[a]fluorene
CID 158676912
11,11-dimethyl-10-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]benzo[a]fluorene;11,11-dimethyl-10-[3-(10-phenanthren-9-ylanthracen-9-yl)phenyl]benzo[a]fluorene
CID 157498925
11,11-dimethyl-10-[3-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]benzo[a]fluorene
CID 140724696
25,25-dimethyl-20-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene
CID 140725746
7,7-dimethyl-8-[4-[10-(4-phenanthren-9-ylphenyl)anthracen-9-yl]phenyl]benzo[c]fluorene
CID 140724149
21,21-dimethyl-19-[10-(2-phenanthren-9-ylphenyl)anthracen-9-yl]pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene
CID 140724611
11,11-dimethyl-9-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]benzo[a]fluorene
CID 144583230
10-[3-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]-11,11-dimethylbenzo[a]fluorene
CID 140724174
4-[3-[10-[4-(11,11-dimethylbenzo[a]fluoren-10-yl)phenyl]anthracen-9-yl]phenyl]dibenzofuran
CID 121421355
25,25-dimethyl-20-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene
CID 140725341
2-[10-(11,11-dimethylbenzo[a]fluoren-10-yl)anthracen-9-yl]dibenzofuran
CID 121421339
11,11-dimethyl-9-(10-phenanthren-3-ylanthracen-9-yl)benzo[a]fluorene
CID 58194555

Frequently Asked Questions

What is the IUPAC name of 11,11-dimethyl-10-[4-[10-(2-phenanthren-9-ylphenyl)anthracen-9-yl]phenyl]benzo[a]fluorene?
The IUPAC name of 11,11-dimethyl-10-[4-[10-(2-phenanthren-9-ylphenyl)anthracen-9-yl]phenyl]benzo[a]fluorene (CID 144802961) is 11,11-dimethyl-10-[4-[10-(2-phenanthren-9-ylphenyl)anthracen-9-yl]phenyl]benzo[a]fluorene.
What is the SMILES notation for 11,11-dimethyl-10-[4-[10-(2-phenanthren-9-ylphenyl)anthracen-9-yl]phenyl]benzo[a]fluorene?
The canonical SMILES for 11,11-dimethyl-10-[4-[10-(2-phenanthren-9-ylphenyl)anthracen-9-yl]phenyl]benzo[a]fluorene is CC1(C)c2c(-c3ccc(-c4c5ccccc5c(-c5ccccc5-c5cc6ccccc6c6ccccc56)c5ccccc45)cc3)cccc2-c2ccc3ccccc3c21.
What is the InChIKey of 11,11-dimethyl-10-[4-[10-(2-phenanthren-9-ylphenyl)anthracen-9-yl]phenyl]benzo[a]fluorene?
The InChIKey is BOVGWJCWHSYUQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H40/c1-59(2)57-43(28-15-29-52(57)53-35-34-37-16-3-6-19-42(37)58(53)59)38-30-32-39(33-31-38)55-48-24-11-13-26-50(48)56(51-27-14-12-25-49(51)55)47-23-10-9-22-46(47)54-36-40-17-4-5-18-41(40)44-20-7-8-21-45(44)54/h3-36H,1-2H3.
What are the key properties of 11,11-dimethyl-10-[4-[10-(2-phenanthren-9-ylphenyl)anthracen-9-yl]phenyl]benzo[a]fluorene?
11,11-dimethyl-10-[4-[10-(2-phenanthren-9-ylphenyl)anthracen-9-yl]phenyl]benzo[a]fluorene has a molecular weight of 748.97 g/mol, XLogP of 16.43, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 11,11-dimethyl-10-[4-[10-(2-phenanthren-9-ylphenyl)anthracen-9-yl]phenyl]benzo[a]fluorene is sourced from PubChem (CID 144802961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).