9-(4-bromophenyl)-10-phenylanthracene;2-carbazol-9-yl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;9-(9H-fluoren-2-yl)carbazole;pentane

C106H78BrN3 — CID 159800677

IUPAC9-(4-bromophenyl)-10-phenylanthracene;2-carbazol-9-yl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;9-(9H-fluoren-2-yl)carbazole;pentane
SMILESBrc1ccc(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)cc1.CCCCC.c1ccc(-c2c3ccccc3c(-c3ccc(-n4c5ccccc5c5ccc(-n6c7ccccc7c7ccccc76)cc54)cc3)c3ccccc23)cc1.c1ccc2c(c1)Cc1cc(-n3c4ccccc4c4ccccc43)ccc1-2
InChIInChI=1S/C50H32N2.C26H17Br.C25H17N.C5H12/c1-2-14-33(15-3-1)49-41-19-4-6-21-43(41)50(44-22-7-5-20-42(44)49)34-26-28-35(29-27-34)51-45-23-11-10-18-39(45)40-31-30-36(32-48(40)51)52-46-24-12-8-16-37(46)38-17-9-13-25-47(38)52;27-20-16-14-19(15-17-20)26-23-12-6-4-10-21(23)25(18-8-2-1-3-9-18)22-11-5-7-13-24(22)26;1-2-8-20-17(7-1)15-18-16-19(13-14-21(18)20)26-24-11-5-3-9-22(24)23-10-4-6-12-25(23)26;1-3-5-4-2/h1-32H;1-17H;1-14,16H,15H2;3-5H2,1-2H3
InChIKeyNJTAGBFZWOARHO-UHFFFAOYSA-N
MW1473.72 g/mol
LogP30.16
Rot. Bonds9

About 9-(4-bromophenyl)-10-phenylanthracene;2-carbazol-9-yl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;9-(9H-fluoren-2-yl)carbazole;pentane

9-(4-bromophenyl)-10-phenylanthracene;2-carbazol-9-yl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;9-(9H-fluoren-2-yl)carbazole;pentane (PubChem CID 159800677) has the molecular formula C106H78BrN3 and a molecular weight of 1473.72 g/mol. Its IUPAC name is 9-(4-bromophenyl)-10-phenylanthracene;2-carbazol-9-yl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;9-(9H-fluoren-2-yl)carbazole;pentane.

Molecular Properties

Compound Name9-(4-bromophenyl)-10-phenylanthracene;2-carbazol-9-yl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;9-(9H-fluoren-2-yl)carbazole;pentane
PubChem CID159800677
Molecular FormulaC106H78BrN3
Molecular Weight1473.72 g/mol
Exact Mass1471.54
IUPAC Name9-(4-bromophenyl)-10-phenylanthracene;2-carbazol-9-yl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;9-(9H-fluoren-2-yl)carbazole;pentane
SMILESBrc1ccc(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)cc1.CCCCC.c1ccc(-c2c3ccccc3c(-c3ccc(-n4c5ccccc5c5ccc(-n6c7ccccc7c7ccccc76)cc54)cc3)c3ccccc23)cc1.c1ccc2c(c1)Cc1cc(-n3c4ccccc4c4ccccc43)ccc1-2
InChIInChI=1S/C50H32N2.C26H17Br.C25H17N.C5H12/c1-2-14-33(15-3-1)49-41-19-4-6-21-43(41)50(44-22-7-5-20-42(44)49)34-26-28-35(29-27-34)51-45-23-11-10-18-39(45)40-31-30-36(32-48(40)51)52-46-24-12-8-16-37(46)38-17-9-13-25-47(38)52;27-20-16-14-19(15-17-20)26-23-12-6-4-10-21(23)25(18-8-2-1-3-9-18)22-11-5-7-13-24(22)26;1-2-8-20-17(7-1)15-18-16-19(13-14-21(18)20)26-24-11-5-3-9-22(24)23-10-4-6-12-25(23)26;1-3-5-4-2/h1-32H;1-17H;1-14,16H,15H2;3-5H2,1-2H3
InChIKeyNJTAGBFZWOARHO-UHFFFAOYSA-N
XLogP30.16
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms110
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001473.72
LogP ≤ 530.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 9-(4-bromophenyl)-10-phenylanthracene;2-carbazol-9-yl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;9-(9H-fluoren-2-yl)carbazole;pentane with MolForge

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Related Compounds

4-bromo-N,N-diphenylaniline;N,N-diphenyl-4-[3-(10-phenylanthracen-9-yl)carbazol-9-yl]aniline;9-(9H-fluoren-3-yl)-10-phenylanthracene
CID 160921097
9-(4-bromophenyl)-10-phenylanthracene;methane;9-[4-(10-phenylanthracen-9-yl)phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-phenyl-3-[6-(9-phenylcarbazol-3-yl)-9H-fluoren-3-yl]carbazole
CID 159346046
2-[9-(9H-fluoren-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 121241600
9-(3-bromophenyl)-10-phenylanthracene;9H-fluorene;9-[3-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 159545933
2-bromo-9,9-dimethylfluorene;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-(9H-fluoren-3-yl)-9-(4-phenylphenyl)carbazole
CID 157054225
9-[7-(9H-fluoren-2-yl)-9H-fluoren-2-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 170285115
11-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-2-yl]-5-phenylindolo[3,2-b]carbazole
CID 170280570
5-(4-bromophenyl)-3-phenyl-1,2,4-oxadiazole;5-(4-carbazol-9-ylphenyl)-3-phenyl-1,2,4-oxadiazole;9H-fluorene
CID 159763803
9-(9H-fluoren-2-yl)-3,6-bis(4-naphthalen-1-ylphenyl)carbazole
CID 118475206
9-[5-(9H-fluoren-2-yl)-9H-fluoren-3-yl]carbazole
CID 170284108
N-(9H-fluoren-2-yl)-9-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]carbazol-2-amine;9-phenyl-N-(9-phenylcarbazol-2-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]carbazol-2-amine
CID 164973496
5-(9H-fluoren-2-yl)-12-phenylindolo[3,2-c]carbazole
CID 130417397

Frequently Asked Questions

What is the IUPAC name of 9-(4-bromophenyl)-10-phenylanthracene;2-carbazol-9-yl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;9-(9H-fluoren-2-yl)carbazole;pentane?
The IUPAC name of 9-(4-bromophenyl)-10-phenylanthracene;2-carbazol-9-yl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;9-(9H-fluoren-2-yl)carbazole;pentane (CID 159800677) is 9-(4-bromophenyl)-10-phenylanthracene;2-carbazol-9-yl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;9-(9H-fluoren-2-yl)carbazole;pentane.
What is the SMILES notation for 9-(4-bromophenyl)-10-phenylanthracene;2-carbazol-9-yl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;9-(9H-fluoren-2-yl)carbazole;pentane?
The canonical SMILES for 9-(4-bromophenyl)-10-phenylanthracene;2-carbazol-9-yl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;9-(9H-fluoren-2-yl)carbazole;pentane is Brc1ccc(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)cc1.CCCCC.c1ccc(-c2c3ccccc3c(-c3ccc(-n4c5ccccc5c5ccc(-n6c7ccccc7c7ccccc76)cc54)cc3)c3ccccc23)cc1.c1ccc2c(c1)Cc1cc(-n3c4ccccc4c4ccccc43)ccc1-2.
What is the InChIKey of 9-(4-bromophenyl)-10-phenylanthracene;2-carbazol-9-yl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;9-(9H-fluoren-2-yl)carbazole;pentane?
The InChIKey is NJTAGBFZWOARHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N2.C26H17Br.C25H17N.C5H12/c1-2-14-33(15-3-1)49-41-19-4-6-21-43(41)50(44-22-7-5-20-42(44)49)34-26-28-35(29-27-34)51-45-23-11-10-18-39(45)40-31-30-36(32-48(40)51)52-46-24-12-8-16-37(46)38-17-9-13-25-47(38)52;27-20-16-14-19(15-17-20)26-23-12-6-4-10-21(23)25(18-8-2-1-3-9-18)22-11-5-7-13-24(22)26;1-2-8-20-17(7-1)15-18-16-19(13-14-21(18)20)26-24-11-5-3-9-22(24)23-10-4-6-12-25(23)26;1-3-5-4-2/h1-32H;1-17H;1-14,16H,15H2;3-5H2,1-2H3.
What are the key properties of 9-(4-bromophenyl)-10-phenylanthracene;2-carbazol-9-yl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;9-(9H-fluoren-2-yl)carbazole;pentane?
9-(4-bromophenyl)-10-phenylanthracene;2-carbazol-9-yl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;9-(9H-fluoren-2-yl)carbazole;pentane has a molecular weight of 1473.72 g/mol, XLogP of 30.16, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-bromophenyl)-10-phenylanthracene;2-carbazol-9-yl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;9-(9H-fluoren-2-yl)carbazole;pentane is sourced from PubChem (CID 159800677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).