3-[9-[3-(9H-fluoren-2-yl)naphthalen-1-yl]carbazol-3-yl]-9-phenylcarbazole

C53H34N2 — CID 126753402

IUPAC3-[9-[3-(9H-fluoren-2-yl)naphthalen-1-yl]carbazol-3-yl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cc(-c5ccc6c(c5)Cc5ccccc5-6)cc5ccccc45)ccc32)cc1
InChIInChI=1S/C53H34N2/c1-2-14-41(15-3-1)54-49-20-10-8-18-45(49)47-31-35(23-26-51(47)54)36-24-27-52-48(32-36)46-19-9-11-21-50(46)55(52)53-33-39(29-38-13-5-7-17-44(38)53)34-22-25-43-40(28-34)30-37-12-4-6-16-42(37)43/h1-29,31-33H,30H2
InChIKeyFSMOQVBOYLDYEI-UHFFFAOYSA-N
MW698.87 g/mol
LogP13.94
Rot. Bonds4

About 3-[9-[3-(9H-fluoren-2-yl)naphthalen-1-yl]carbazol-3-yl]-9-phenylcarbazole

3-[9-[3-(9H-fluoren-2-yl)naphthalen-1-yl]carbazol-3-yl]-9-phenylcarbazole (PubChem CID 126753402) has the molecular formula C53H34N2 and a molecular weight of 698.87 g/mol. Its IUPAC name is 3-[9-[3-(9H-fluoren-2-yl)naphthalen-1-yl]carbazol-3-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[9-[3-(9H-fluoren-2-yl)naphthalen-1-yl]carbazol-3-yl]-9-phenylcarbazole
PubChem CID126753402
Molecular FormulaC53H34N2
Molecular Weight698.87 g/mol
Exact Mass698.27
IUPAC Name3-[9-[3-(9H-fluoren-2-yl)naphthalen-1-yl]carbazol-3-yl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cc(-c5ccc6c(c5)Cc5ccccc5-6)cc5ccccc45)ccc32)cc1
InChIInChI=1S/C53H34N2/c1-2-14-41(15-3-1)54-49-20-10-8-18-45(49)47-31-35(23-26-51(47)54)36-24-27-52-48(32-36)46-19-9-11-21-50(46)55(52)53-33-39(29-38-13-5-7-17-44(38)53)34-22-25-43-40(28-34)30-37-12-4-6-16-42(37)43/h1-29,31-33H,30H2
InChIKeyFSMOQVBOYLDYEI-UHFFFAOYSA-N
XLogP13.94
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500698.87
LogP ≤ 513.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[9-(9H-fluoren-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 121241600
2-[9-(9H-fluoren-1-yl)carbazol-3-yl]-9-phenylcarbazole
CID 121241625
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
3-[9-[2-(9H-fluoren-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 126753267
N-[4-(9H-fluoren-2-yl)phenyl]-N-phenyl-2-(9-phenylcarbazol-3-yl)aniline
CID 143813917
CID 162260109
CID 162260109
3-[9-(9H-fluoren-1-yl)carbazol-3-yl]-9-(4-phenylnaphthalen-2-yl)carbazole
CID 167043378
3-[9-[3-(9H-fluoren-1-yl)naphthalen-1-yl]-9H-fluoren-2-yl]-9-phenylcarbazole
CID 126753751
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
3-[9-(3-dibenzofuran-2-ylnaphthalen-1-yl)carbazol-3-yl]-9-phenylcarbazole
CID 118534493
3-naphthalen-2-yl-6-(9-phenylcarbazol-3-yl)-9-(2-phenylphenyl)carbazole
CID 170244502
3-(18-chloro-10-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaenyl)-9-phenylcarbazole
CID 146886402

Frequently Asked Questions

What is the IUPAC name of 3-[9-[3-(9H-fluoren-2-yl)naphthalen-1-yl]carbazol-3-yl]-9-phenylcarbazole?
The IUPAC name of 3-[9-[3-(9H-fluoren-2-yl)naphthalen-1-yl]carbazol-3-yl]-9-phenylcarbazole (CID 126753402) is 3-[9-[3-(9H-fluoren-2-yl)naphthalen-1-yl]carbazol-3-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[9-[3-(9H-fluoren-2-yl)naphthalen-1-yl]carbazol-3-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[9-[3-(9H-fluoren-2-yl)naphthalen-1-yl]carbazol-3-yl]-9-phenylcarbazole is c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cc(-c5ccc6c(c5)Cc5ccccc5-6)cc5ccccc45)ccc32)cc1.
What is the InChIKey of 3-[9-[3-(9H-fluoren-2-yl)naphthalen-1-yl]carbazol-3-yl]-9-phenylcarbazole?
The InChIKey is FSMOQVBOYLDYEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H34N2/c1-2-14-41(15-3-1)54-49-20-10-8-18-45(49)47-31-35(23-26-51(47)54)36-24-27-52-48(32-36)46-19-9-11-21-50(46)55(52)53-33-39(29-38-13-5-7-17-44(38)53)34-22-25-43-40(28-34)30-37-12-4-6-16-42(37)43/h1-29,31-33H,30H2.
What are the key properties of 3-[9-[3-(9H-fluoren-2-yl)naphthalen-1-yl]carbazol-3-yl]-9-phenylcarbazole?
3-[9-[3-(9H-fluoren-2-yl)naphthalen-1-yl]carbazol-3-yl]-9-phenylcarbazole has a molecular weight of 698.87 g/mol, XLogP of 13.94, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-[3-(9H-fluoren-2-yl)naphthalen-1-yl]carbazol-3-yl]-9-phenylcarbazole is sourced from PubChem (CID 126753402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).