2-[4-[9-(4-triphenylen-2-ylphenyl)fluoren-9-yl]phenyl]triphenylene

C61H38 — CID 123796850

IUPAC2-[4-[9-(4-triphenylen-2-ylphenyl)fluoren-9-yl]phenyl]triphenylene
SMILESc1ccc2c(c1)-c1ccccc1C2(c1ccc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc1)c1ccc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc1
InChIInChI=1S/C61H38/c1-3-17-49-45(13-1)47-15-5-7-19-51(47)57-37-41(29-35-53(49)57)39-25-31-43(32-26-39)61(59-23-11-9-21-55(59)56-22-10-12-24-60(56)61)44-33-27-40(28-34-44)42-30-36-54-50-18-4-2-14-46(50)48-16-6-8-20-52(48)58(54)38-42/h1-38H
InChIKeyPOUJEXVREMNXKS-UHFFFAOYSA-N
MW770.98 g/mol
LogP16.30
Rot. Bonds4

About 2-[4-[9-(4-triphenylen-2-ylphenyl)fluoren-9-yl]phenyl]triphenylene

2-[4-[9-(4-triphenylen-2-ylphenyl)fluoren-9-yl]phenyl]triphenylene (PubChem CID 123796850) has the molecular formula C61H38 and a molecular weight of 770.98 g/mol. Its IUPAC name is 2-[4-[9-(4-triphenylen-2-ylphenyl)fluoren-9-yl]phenyl]triphenylene.

Molecular Properties

Compound Name2-[4-[9-(4-triphenylen-2-ylphenyl)fluoren-9-yl]phenyl]triphenylene
PubChem CID123796850
Molecular FormulaC61H38
Molecular Weight770.98 g/mol
Exact Mass770.30
IUPAC Name2-[4-[9-(4-triphenylen-2-ylphenyl)fluoren-9-yl]phenyl]triphenylene
SMILESc1ccc2c(c1)-c1ccccc1C2(c1ccc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc1)c1ccc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc1
InChIInChI=1S/C61H38/c1-3-17-49-45(13-1)47-15-5-7-19-51(47)57-37-41(29-35-53(49)57)39-25-31-43(32-26-39)61(59-23-11-9-21-55(59)56-22-10-12-24-60(56)61)44-33-27-40(28-34-44)42-30-36-54-50-18-4-2-14-46(50)48-16-6-8-20-52(48)58(54)38-42/h1-38H
InChIKeyPOUJEXVREMNXKS-UHFFFAOYSA-N
XLogP16.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500770.98
LogP ≤ 516.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(9-phenylfluoren-9-yl)phenyl]triphenylene
CID 123153262
2-(9,9-diphenyl-7-triphenylen-2-ylfluoren-2-yl)triphenylene
CID 58795230
2-[9,9-bis(4-methylphenyl)-7-triphenylen-2-ylfluoren-2-yl]triphenylene
CID 58795241
N,9,9-triphenyl-N-[4-(4-triphenylen-2-ylphenyl)phenyl]fluoren-2-amine
CID 142567679
9-[4-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]phenanthrene
CID 123590616
8'-[3-(3-spiro[fluorene-9,19'-pentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaene]-8'-ylphenyl)phenyl]spiro[fluorene-9,19'-pentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaene]
CID 123626063
propane;spiro[fluorene-9,6'-tricyclo[5.2.2.22,5]trideca-1(10),2(13),3,5(12),7(11),8-hexaene]
CID 144938761
3,9,9-triphenylfluorene
CID 140844354
20'-(3-triphenylen-2-ylphenyl)spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene]
CID 159754407
N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)triphenylen-2-amine
CID 122470062
17-[4-(9,9-diphenylfluoren-2-yl)phenyl]-17-phenyl-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaene
CID 146578707
5'-(4-triphenylen-2-ylphenyl)spiro[fluorene-9,11'-indeno[1,2-c]isoquinoline]
CID 168855230

Frequently Asked Questions

What is the IUPAC name of 2-[4-[9-(4-triphenylen-2-ylphenyl)fluoren-9-yl]phenyl]triphenylene?
The IUPAC name of 2-[4-[9-(4-triphenylen-2-ylphenyl)fluoren-9-yl]phenyl]triphenylene (CID 123796850) is 2-[4-[9-(4-triphenylen-2-ylphenyl)fluoren-9-yl]phenyl]triphenylene.
What is the SMILES notation for 2-[4-[9-(4-triphenylen-2-ylphenyl)fluoren-9-yl]phenyl]triphenylene?
The canonical SMILES for 2-[4-[9-(4-triphenylen-2-ylphenyl)fluoren-9-yl]phenyl]triphenylene is c1ccc2c(c1)-c1ccccc1C2(c1ccc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc1)c1ccc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc1.
What is the InChIKey of 2-[4-[9-(4-triphenylen-2-ylphenyl)fluoren-9-yl]phenyl]triphenylene?
The InChIKey is POUJEXVREMNXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H38/c1-3-17-49-45(13-1)47-15-5-7-19-51(47)57-37-41(29-35-53(49)57)39-25-31-43(32-26-39)61(59-23-11-9-21-55(59)56-22-10-12-24-60(56)61)44-33-27-40(28-34-44)42-30-36-54-50-18-4-2-14-46(50)48-16-6-8-20-52(48)58(54)38-42/h1-38H.
What are the key properties of 2-[4-[9-(4-triphenylen-2-ylphenyl)fluoren-9-yl]phenyl]triphenylene?
2-[4-[9-(4-triphenylen-2-ylphenyl)fluoren-9-yl]phenyl]triphenylene has a molecular weight of 770.98 g/mol, XLogP of 16.30, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[9-(4-triphenylen-2-ylphenyl)fluoren-9-yl]phenyl]triphenylene is sourced from PubChem (CID 123796850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).