9-[8-(3-triphenylen-2-ylphenyl)-9H-fluoren-3-yl]carbazole

C49H31N — CID 130409444

IUPAC9-[8-(3-triphenylen-2-ylphenyl)-9H-fluoren-3-yl]carbazole
SMILESc1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc(-c2cccc3c2Cc2ccc(-n4c5ccccc5c5ccccc54)cc2-3)c1
InChIInChI=1S/C49H31N/c1-2-15-39-37(13-1)38-14-3-4-16-40(38)47-28-32(24-26-42(39)47)31-11-9-12-33(27-31)36-19-10-20-41-45-30-35(25-23-34(45)29-46(36)41)50-48-21-7-5-17-43(48)44-18-6-8-22-49(44)50/h1-28,30H,29H2
InChIKeyIIGDGOGFMKGDOQ-UHFFFAOYSA-N
MW633.79 g/mol
LogP13.15
Rot. Bonds3

About 9-[8-(3-triphenylen-2-ylphenyl)-9H-fluoren-3-yl]carbazole

9-[8-(3-triphenylen-2-ylphenyl)-9H-fluoren-3-yl]carbazole (PubChem CID 130409444) has the molecular formula C49H31N and a molecular weight of 633.79 g/mol. Its IUPAC name is 9-[8-(3-triphenylen-2-ylphenyl)-9H-fluoren-3-yl]carbazole.

Molecular Properties

Compound Name9-[8-(3-triphenylen-2-ylphenyl)-9H-fluoren-3-yl]carbazole
PubChem CID130409444
Molecular FormulaC49H31N
Molecular Weight633.79 g/mol
Exact Mass633.25
IUPAC Name9-[8-(3-triphenylen-2-ylphenyl)-9H-fluoren-3-yl]carbazole
SMILESc1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc(-c2cccc3c2Cc2ccc(-n4c5ccccc5c5ccccc54)cc2-3)c1
InChIInChI=1S/C49H31N/c1-2-15-39-37(13-1)38-14-3-4-16-40(38)47-28-32(24-26-42(39)47)31-11-9-12-33(27-31)36-19-10-20-41-45-30-35(25-23-34(45)29-46(36)41)50-48-21-7-5-17-43(48)44-18-6-8-22-49(44)50/h1-28,30H,29H2
InChIKeyIIGDGOGFMKGDOQ-UHFFFAOYSA-N
XLogP13.15
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500633.79
LogP ≤ 513.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

11-phenyl-12-(8-triphenylen-2-yl-9H-fluoren-3-yl)indolo[2,3-a]carbazole
CID 130409428
3-[16-(3,5-diphenylphenyl)-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 161059724
3-carbazol-9-yl-9-[1-[3-(4-phenylphenyl)phenyl]-9H-fluoren-3-yl]carbazole
CID 118346460
3-carbazol-9-yl-9-[8-[3-(4-phenylphenyl)phenyl]-9H-fluoren-1-yl]carbazole;9-[5-[3-(4-phenylphenyl)phenyl]-9H-fluoren-1-yl]carbazole;9-[8-[3-(4-phenylphenyl)phenyl]-9H-fluoren-3-yl]carbazole
CID 158848481
CID 144729927
CID 144729927
9-[6-[3-(6-carbazol-9-yl-9H-fluoren-3-yl)phenyl]-9H-fluoren-3-yl]carbazole;bis(prop-1-ene)
CID 144541446
2,11-bis(9H-fluoren-1-yl)triphenylene
CID 59489264
7-[4-(9H-fluoren-1-yl)phenyl]-2,5-diphenylindolo[2,3-b]carbazole
CID 126580464
9-(6-carbazol-9-yl-9H-fluoren-3-yl)carbazole
CID 59464809
9-[3-[1-(3-carbazol-9-ylphenyl)-9H-fluoren-3-yl]phenyl]carbazole
CID 145060053
3,6-dimethyl-9-[3-(8-triphenylen-2-yl-9H-fluoren-1-yl)phenyl]carbazole
CID 134509745
9-(3-triphenylen-2-ylphenyl)carbazole
CID 88924379

Frequently Asked Questions

What is the IUPAC name of 9-[8-(3-triphenylen-2-ylphenyl)-9H-fluoren-3-yl]carbazole?
The IUPAC name of 9-[8-(3-triphenylen-2-ylphenyl)-9H-fluoren-3-yl]carbazole (CID 130409444) is 9-[8-(3-triphenylen-2-ylphenyl)-9H-fluoren-3-yl]carbazole.
What is the SMILES notation for 9-[8-(3-triphenylen-2-ylphenyl)-9H-fluoren-3-yl]carbazole?
The canonical SMILES for 9-[8-(3-triphenylen-2-ylphenyl)-9H-fluoren-3-yl]carbazole is c1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc(-c2cccc3c2Cc2ccc(-n4c5ccccc5c5ccccc54)cc2-3)c1.
What is the InChIKey of 9-[8-(3-triphenylen-2-ylphenyl)-9H-fluoren-3-yl]carbazole?
The InChIKey is IIGDGOGFMKGDOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H31N/c1-2-15-39-37(13-1)38-14-3-4-16-40(38)47-28-32(24-26-42(39)47)31-11-9-12-33(27-31)36-19-10-20-41-45-30-35(25-23-34(45)29-46(36)41)50-48-21-7-5-17-43(48)44-18-6-8-22-49(44)50/h1-28,30H,29H2.
What are the key properties of 9-[8-(3-triphenylen-2-ylphenyl)-9H-fluoren-3-yl]carbazole?
9-[8-(3-triphenylen-2-ylphenyl)-9H-fluoren-3-yl]carbazole has a molecular weight of 633.79 g/mol, XLogP of 13.15, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[8-(3-triphenylen-2-ylphenyl)-9H-fluoren-3-yl]carbazole is sourced from PubChem (CID 130409444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).