3-[6-(11,11-diphenylbenzo[a]fluoren-3-yl)naphthalen-2-yl]-9-phenylcarbazole

C57H37N — CID 166034115

IUPAC3-[6-(11,11-diphenylbenzo[a]fluoren-3-yl)naphthalen-2-yl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5cc(-c6ccc7c8c(ccc7c6)-c6ccccc6C8(c6ccccc6)c6ccccc6)ccc5c4)ccc32)cc1
InChIInChI=1S/C57H37N/c1-4-14-45(15-5-1)57(46-16-6-2-7-17-46)53-22-12-10-20-49(53)51-32-29-44-36-42(28-31-48(44)56(51)57)40-25-24-39-35-41(27-26-38(39)34-40)43-30-33-55-52(37-43)50-21-11-13-23-54(50)58(55)47-18-8-3-9-19-47/h1-37H
InChIKeyAUVUMFOFPXRVSI-UHFFFAOYSA-N
MW735.93 g/mol
LogP14.79
Rot. Bonds5

About 3-[6-(11,11-diphenylbenzo[a]fluoren-3-yl)naphthalen-2-yl]-9-phenylcarbazole

3-[6-(11,11-diphenylbenzo[a]fluoren-3-yl)naphthalen-2-yl]-9-phenylcarbazole (PubChem CID 166034115) has the molecular formula C57H37N and a molecular weight of 735.93 g/mol. Its IUPAC name is 3-[6-(11,11-diphenylbenzo[a]fluoren-3-yl)naphthalen-2-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[6-(11,11-diphenylbenzo[a]fluoren-3-yl)naphthalen-2-yl]-9-phenylcarbazole
PubChem CID166034115
Molecular FormulaC57H37N
Molecular Weight735.93 g/mol
Exact Mass735.29
IUPAC Name3-[6-(11,11-diphenylbenzo[a]fluoren-3-yl)naphthalen-2-yl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5cc(-c6ccc7c8c(ccc7c6)-c6ccccc6C8(c6ccccc6)c6ccccc6)ccc5c4)ccc32)cc1
InChIInChI=1S/C57H37N/c1-4-14-45(15-5-1)57(46-16-6-2-7-17-46)53-22-12-10-20-49(53)51-32-29-44-36-42(28-31-48(44)56(51)57)40-25-24-39-35-41(27-26-38(39)34-40)43-30-33-55-52(37-43)50-21-11-13-23-54(50)58(55)47-18-8-3-9-19-47/h1-37H
InChIKeyAUVUMFOFPXRVSI-UHFFFAOYSA-N
XLogP14.79
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500735.93
LogP ≤ 514.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-[9-(9,9-diphenylfluoren-1-yl)carbazol-3-yl]-9-phenylcarbazole
CID 118449506
9-phenyl-6-(9-phenylcarbazol-3-yl)-2-(9-phenylfluoren-9-yl)carbazole
CID 118145084
9-phenyl-3-[10-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-17'-ylphenyl)anthracen-9-yl]carbazole
CID 137493933
3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 118449222
9-[4-[4-[4-[4-[3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]phenyl]phenyl]-3-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 134354328
3-[10-(25,25-diphenyl-20-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-dodecaenyl)anthracen-9-yl]-9-phenylcarbazole
CID 121431082
9-phenyl-3-(9-phenylfluoren-9-yl)-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 121311550
3-[9-[4-[3-[4-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 154590573
3-[4-[9,9-diphenyl-7-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-yl]phenyl]-9-phenylcarbazole
CID 89118693
9-phenyl-3-[4-[7'-[4-(9-phenylcarbazol-3-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole
CID 59236537
3-[4-[9-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-9-yl]phenyl]-9-[3-[9-[4-[4-[9-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-9-yl]phenyl]phenyl]carbazol-3-yl]phenyl]carbazole
CID 146517009
3-[9-[3-[3-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 154590619

Frequently Asked Questions

What is the IUPAC name of 3-[6-(11,11-diphenylbenzo[a]fluoren-3-yl)naphthalen-2-yl]-9-phenylcarbazole?
The IUPAC name of 3-[6-(11,11-diphenylbenzo[a]fluoren-3-yl)naphthalen-2-yl]-9-phenylcarbazole (CID 166034115) is 3-[6-(11,11-diphenylbenzo[a]fluoren-3-yl)naphthalen-2-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[6-(11,11-diphenylbenzo[a]fluoren-3-yl)naphthalen-2-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[6-(11,11-diphenylbenzo[a]fluoren-3-yl)naphthalen-2-yl]-9-phenylcarbazole is c1ccc(-n2c3ccccc3c3cc(-c4ccc5cc(-c6ccc7c8c(ccc7c6)-c6ccccc6C8(c6ccccc6)c6ccccc6)ccc5c4)ccc32)cc1.
What is the InChIKey of 3-[6-(11,11-diphenylbenzo[a]fluoren-3-yl)naphthalen-2-yl]-9-phenylcarbazole?
The InChIKey is AUVUMFOFPXRVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H37N/c1-4-14-45(15-5-1)57(46-16-6-2-7-17-46)53-22-12-10-20-49(53)51-32-29-44-36-42(28-31-48(44)56(51)57)40-25-24-39-35-41(27-26-38(39)34-40)43-30-33-55-52(37-43)50-21-11-13-23-54(50)58(55)47-18-8-3-9-19-47/h1-37H.
What are the key properties of 3-[6-(11,11-diphenylbenzo[a]fluoren-3-yl)naphthalen-2-yl]-9-phenylcarbazole?
3-[6-(11,11-diphenylbenzo[a]fluoren-3-yl)naphthalen-2-yl]-9-phenylcarbazole has a molecular weight of 735.93 g/mol, XLogP of 14.79, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(11,11-diphenylbenzo[a]fluoren-3-yl)naphthalen-2-yl]-9-phenylcarbazole is sourced from PubChem (CID 166034115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).