9-[4-[9-(3-bromophenyl)fluoren-9-yl]phenyl]-10-phenylanthracene

C45H29Br — CID 87087450

IUPAC9-[4-[9-(3-bromophenyl)fluoren-9-yl]phenyl]-10-phenylanthracene
SMILESBrc1cccc(C2(c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc3)c3ccccc3-c3ccccc32)c1
InChIInChI=1S/C45H29Br/c46-34-16-12-15-33(29-34)45(41-23-10-8-17-35(41)36-18-9-11-24-42(36)45)32-27-25-31(26-28-32)44-39-21-6-4-19-37(39)43(30-13-2-1-3-14-30)38-20-5-7-22-40(38)44/h1-29H
InChIKeyCDEXUBXVLSATFS-UHFFFAOYSA-N
MW649.63 g/mol
LogP12.45
Rot. Bonds4

About 9-[4-[9-(3-bromophenyl)fluoren-9-yl]phenyl]-10-phenylanthracene

9-[4-[9-(3-bromophenyl)fluoren-9-yl]phenyl]-10-phenylanthracene (PubChem CID 87087450) has the molecular formula C45H29Br and a molecular weight of 649.63 g/mol. Its IUPAC name is 9-[4-[9-(3-bromophenyl)fluoren-9-yl]phenyl]-10-phenylanthracene.

Molecular Properties

Compound Name9-[4-[9-(3-bromophenyl)fluoren-9-yl]phenyl]-10-phenylanthracene
PubChem CID87087450
Molecular FormulaC45H29Br
Molecular Weight649.63 g/mol
Exact Mass648.15
IUPAC Name9-[4-[9-(3-bromophenyl)fluoren-9-yl]phenyl]-10-phenylanthracene
SMILESBrc1cccc(C2(c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc3)c3ccccc3-c3ccccc32)c1
InChIInChI=1S/C45H29Br/c46-34-16-12-15-33(29-34)45(41-23-10-8-17-35(41)36-18-9-11-24-42(36)45)32-27-25-31(26-28-32)44-39-21-6-4-19-37(39)43(30-13-2-1-3-14-30)38-20-5-7-22-40(38)44/h1-29H
InChIKeyCDEXUBXVLSATFS-UHFFFAOYSA-N
XLogP12.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500649.63
LogP ≤ 512.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

9-(9,9-diphenylfluoren-2-yl)-10-(4-phenylphenyl)anthracene
CID 140792270
9-[3-[3-[9-[3-(3-anthracen-9-ylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]anthracene;9-[3-[4-[9-[4-(3-anthracen-9-ylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]anthracene;9-[4-[3-[9-[3-(4-anthracen-9-ylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]anthracene
CID 159639857
7-(3-bromophenyl)-7-phenylbenzo[a]phenalene
CID 134352385
9-phenyl-10-[2,3,5,6-tetradeuterio-4-(9,9-diphenylfluoren-2-yl)phenyl]anthracene
CID 164737939
2-[3-(9-phenylfluoren-9-yl)phenyl]triphenylene
CID 123153262
9-[4-[3-[9-[3-(4-anthracen-9-ylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]anthracene
CID 123659386
2-tert-butyl-9,10-bis[4-(9-phenylfluoren-9-yl)phenyl]anthracene
CID 141393224
9-[4-[4-[9-[4-(4-anthracen-9-ylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]anthracene;9-[9,9-bis(4-anthracen-9-ylphenyl)-7-(10-phenylanthracen-9-yl)fluoren-2-yl]-10-phenylanthracene;methane
CID 159419556
(9,9-diphenylfluoren-2-yl)-dimethyl-[4-(10-phenylanthracen-9-yl)phenyl]silane
CID 123170275
9-[4-[9-(4-anthracen-9-ylphenyl)fluoren-9-yl]phenyl]-10-phenylanthracene;2',7'-bis[3-(9-phenylfluoren-9-yl)phenyl]-9,9'-spirobi[fluorene];9-[4-[2,7-diphenyl-9-(4-phenylphenyl)fluoren-9-yl]phenyl]-10-phenylanthracene;9-naphthalen-1-yl-10-[4-[9-(4-naphthalen-1-ylphenyl)fluoren-9-yl]phenyl]anthracene
CID 159912544
9-[4-(3-bromophenyl)phenyl]-10-phenylanthracene
CID 86607954
22'-[4-(10-phenylanthracen-9-yl)phenyl]spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]
CID 140962463

Frequently Asked Questions

What is the IUPAC name of 9-[4-[9-(3-bromophenyl)fluoren-9-yl]phenyl]-10-phenylanthracene?
The IUPAC name of 9-[4-[9-(3-bromophenyl)fluoren-9-yl]phenyl]-10-phenylanthracene (CID 87087450) is 9-[4-[9-(3-bromophenyl)fluoren-9-yl]phenyl]-10-phenylanthracene.
What is the SMILES notation for 9-[4-[9-(3-bromophenyl)fluoren-9-yl]phenyl]-10-phenylanthracene?
The canonical SMILES for 9-[4-[9-(3-bromophenyl)fluoren-9-yl]phenyl]-10-phenylanthracene is Brc1cccc(C2(c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc3)c3ccccc3-c3ccccc32)c1.
What is the InChIKey of 9-[4-[9-(3-bromophenyl)fluoren-9-yl]phenyl]-10-phenylanthracene?
The InChIKey is CDEXUBXVLSATFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H29Br/c46-34-16-12-15-33(29-34)45(41-23-10-8-17-35(41)36-18-9-11-24-42(36)45)32-27-25-31(26-28-32)44-39-21-6-4-19-37(39)43(30-13-2-1-3-14-30)38-20-5-7-22-40(38)44/h1-29H.
What are the key properties of 9-[4-[9-(3-bromophenyl)fluoren-9-yl]phenyl]-10-phenylanthracene?
9-[4-[9-(3-bromophenyl)fluoren-9-yl]phenyl]-10-phenylanthracene has a molecular weight of 649.63 g/mol, XLogP of 12.45, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[9-(3-bromophenyl)fluoren-9-yl]phenyl]-10-phenylanthracene is sourced from PubChem (CID 87087450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).