2-[4-[10-[4-(11,11-dimethylbenzo[h]fluoren-1-yl)phenyl]anthracen-9-yl]phenyl]dibenzofuran;11,11-dimethyl-1-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]benzo[b]fluorene

C106H72O — CID 160587878

IUPAC2-[4-[10-[4-(11,11-dimethylbenzo[h]fluoren-1-yl)phenyl]anthracen-9-yl]phenyl]dibenzofuran;11,11-dimethyl-1-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]benzo[b]fluorene
SMILESCC1(C)c2cc3ccccc3cc2-c2cccc(-c3ccc(-c4c5ccccc5c(-c5ccc(-c6ccc7oc8ccccc8c7c6)cc5)c5ccccc45)cc3)c21.CC1(C)c2cc3ccccc3cc2-c2cccc(-c3ccc(-c4c5ccccc5c(-c5cccc6ccccc56)c5ccccc45)cc3)c21
InChIInChI=1S/C57H38O.C49H34/c1-57(2)51-34-40-13-4-3-12-39(40)32-49(51)48-20-11-19-42(56(48)57)36-24-28-38(29-25-36)55-46-17-7-5-15-44(46)54(45-16-6-8-18-47(45)55)37-26-22-35(23-27-37)41-30-31-53-50(33-41)43-14-9-10-21-52(43)58-53;1-49(2)45-30-35-15-4-3-14-34(35)29-44(45)43-24-12-22-37(48(43)49)32-25-27-33(28-26-32)46-39-18-7-9-20-41(39)47(42-21-10-8-19-40(42)46)38-23-11-16-31-13-5-6-17-36(31)38/h3-34H,1-2H3;3-30H,1-2H3
InChIKeyRCPWQFGPFUWTRP-UHFFFAOYSA-N
MW1361.74 g/mol
LogP29.63
Rot. Bonds7

About 2-[4-[10-[4-(11,11-dimethylbenzo[h]fluoren-1-yl)phenyl]anthracen-9-yl]phenyl]dibenzofuran;11,11-dimethyl-1-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]benzo[b]fluorene

2-[4-[10-[4-(11,11-dimethylbenzo[h]fluoren-1-yl)phenyl]anthracen-9-yl]phenyl]dibenzofuran;11,11-dimethyl-1-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]benzo[b]fluorene (PubChem CID 160587878) has the molecular formula C106H72O and a molecular weight of 1361.74 g/mol. Its IUPAC name is 2-[4-[10-[4-(11,11-dimethylbenzo[h]fluoren-1-yl)phenyl]anthracen-9-yl]phenyl]dibenzofuran;11,11-dimethyl-1-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]benzo[b]fluorene.

Molecular Properties

Compound Name2-[4-[10-[4-(11,11-dimethylbenzo[h]fluoren-1-yl)phenyl]anthracen-9-yl]phenyl]dibenzofuran;11,11-dimethyl-1-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]benzo[b]fluorene
PubChem CID160587878
Molecular FormulaC106H72O
Molecular Weight1361.74 g/mol
Exact Mass1360.56
IUPAC Name2-[4-[10-[4-(11,11-dimethylbenzo[h]fluoren-1-yl)phenyl]anthracen-9-yl]phenyl]dibenzofuran;11,11-dimethyl-1-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]benzo[b]fluorene
SMILESCC1(C)c2cc3ccccc3cc2-c2cccc(-c3ccc(-c4c5ccccc5c(-c5ccc(-c6ccc7oc8ccccc8c7c6)cc5)c5ccccc45)cc3)c21.CC1(C)c2cc3ccccc3cc2-c2cccc(-c3ccc(-c4c5ccccc5c(-c5cccc6ccccc56)c5ccccc45)cc3)c21
InChIInChI=1S/C57H38O.C49H34/c1-57(2)51-34-40-13-4-3-12-39(40)32-49(51)48-20-11-19-42(56(48)57)36-24-28-38(29-25-36)55-46-17-7-5-15-44(46)54(45-16-6-8-18-47(45)55)37-26-22-35(23-27-37)41-30-31-53-50(33-41)43-14-9-10-21-52(43)58-53;1-49(2)45-30-35-15-4-3-14-34(35)29-44(45)43-24-12-22-37(48(43)49)32-25-27-33(28-26-32)46-39-18-7-9-20-41(39)47(42-21-10-8-19-40(42)46)38-23-11-16-31-13-5-6-17-36(31)38/h3-34H,1-2H3;3-30H,1-2H3
InChIKeyRCPWQFGPFUWTRP-UHFFFAOYSA-N
XLogP29.63
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms107
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001361.74
LogP ≤ 529.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-[4-[10-[4-(11,11-dimethylbenzo[h]fluoren-1-yl)phenyl]anthracen-9-yl]phenyl]dibenzofuran;11,11-dimethyl-1-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]benzo[b]fluorene with MolForge

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Related Compounds

12,12-dimethyl-18-(10-naphthalen-1-ylanthracen-9-yl)-22-oxahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16(21),17,19,23-undecaene
CID 130189303
9,10-bis(9,9-dimethylfluoren-2-yl)anthracene;9-(9,9-dimethylfluoren-2-yl)-10-naphthalen-1-ylanthracene;9-(9,9-dimethylfluoren-2-yl)-10-naphthalen-2-ylanthracene;9-[3-(9,9-dimethylfluoren-2-yl)phenyl]-10-naphthalen-1-ylanthracene;9-[3-(9,9-dimethylfluoren-2-yl)phenyl]-10-naphthalen-2-ylanthracene;9-[4-(9,9-dimethylfluoren-2-yl)phenyl]-10-naphthalen-1-ylanthracene;9-[4-(9,9-dimethylfluoren-2-yl)phenyl]-10-naphthalen-2-ylanthracene;2-(10-naphthalen-2-ylanthracen-9-yl)dibenzofuran
CID 161035826
10-[10-[3-(11,11-dimethylbenzo[h]fluoren-1-yl)phenyl]anthracen-9-yl]naphtho[2,1-b][1]benzofuran
CID 121421240
6-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
CID 122426272
2-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 58536122
2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran
CID 58151301
2-[10-[3-(11,11-dimethylbenzo[b]fluoren-2-yl)phenyl]anthracen-9-yl]dibenzofuran
CID 144583239
2-[2-[10-[3-(11,11-dimethylbenzo[b]fluoren-3-yl)phenyl]anthracen-9-yl]phenyl]dibenzofuran
CID 121421149
2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran;2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]dibenzofuran;4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]dibenzofuran
CID 159891150
11,11-dimethyl-1-[3-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]benzo[b]fluorene
CID 140724534
6-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene
CID 122426263
22,22-dimethyl-18-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-10-oxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4,6,8,12,14,16(21),17,19,23-undecaene
CID 130211952

Frequently Asked Questions

What is the IUPAC name of 2-[4-[10-[4-(11,11-dimethylbenzo[h]fluoren-1-yl)phenyl]anthracen-9-yl]phenyl]dibenzofuran;11,11-dimethyl-1-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]benzo[b]fluorene?
The IUPAC name of 2-[4-[10-[4-(11,11-dimethylbenzo[h]fluoren-1-yl)phenyl]anthracen-9-yl]phenyl]dibenzofuran;11,11-dimethyl-1-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]benzo[b]fluorene (CID 160587878) is 2-[4-[10-[4-(11,11-dimethylbenzo[h]fluoren-1-yl)phenyl]anthracen-9-yl]phenyl]dibenzofuran;11,11-dimethyl-1-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]benzo[b]fluorene.
What is the SMILES notation for 2-[4-[10-[4-(11,11-dimethylbenzo[h]fluoren-1-yl)phenyl]anthracen-9-yl]phenyl]dibenzofuran;11,11-dimethyl-1-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]benzo[b]fluorene?
The canonical SMILES for 2-[4-[10-[4-(11,11-dimethylbenzo[h]fluoren-1-yl)phenyl]anthracen-9-yl]phenyl]dibenzofuran;11,11-dimethyl-1-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]benzo[b]fluorene is CC1(C)c2cc3ccccc3cc2-c2cccc(-c3ccc(-c4c5ccccc5c(-c5ccc(-c6ccc7oc8ccccc8c7c6)cc5)c5ccccc45)cc3)c21.CC1(C)c2cc3ccccc3cc2-c2cccc(-c3ccc(-c4c5ccccc5c(-c5cccc6ccccc56)c5ccccc45)cc3)c21.
What is the InChIKey of 2-[4-[10-[4-(11,11-dimethylbenzo[h]fluoren-1-yl)phenyl]anthracen-9-yl]phenyl]dibenzofuran;11,11-dimethyl-1-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]benzo[b]fluorene?
The InChIKey is RCPWQFGPFUWTRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H38O.C49H34/c1-57(2)51-34-40-13-4-3-12-39(40)32-49(51)48-20-11-19-42(56(48)57)36-24-28-38(29-25-36)55-46-17-7-5-15-44(46)54(45-16-6-8-18-47(45)55)37-26-22-35(23-27-37)41-30-31-53-50(33-41)43-14-9-10-21-52(43)58-53;1-49(2)45-30-35-15-4-3-14-34(35)29-44(45)43-24-12-22-37(48(43)49)32-25-27-33(28-26-32)46-39-18-7-9-20-41(39)47(42-21-10-8-19-40(42)46)38-23-11-16-31-13-5-6-17-36(31)38/h3-34H,1-2H3;3-30H,1-2H3.
What are the key properties of 2-[4-[10-[4-(11,11-dimethylbenzo[h]fluoren-1-yl)phenyl]anthracen-9-yl]phenyl]dibenzofuran;11,11-dimethyl-1-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]benzo[b]fluorene?
2-[4-[10-[4-(11,11-dimethylbenzo[h]fluoren-1-yl)phenyl]anthracen-9-yl]phenyl]dibenzofuran;11,11-dimethyl-1-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]benzo[b]fluorene has a molecular weight of 1361.74 g/mol, XLogP of 29.63, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[10-[4-(11,11-dimethylbenzo[h]fluoren-1-yl)phenyl]anthracen-9-yl]phenyl]dibenzofuran;11,11-dimethyl-1-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]benzo[b]fluorene is sourced from PubChem (CID 160587878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).