11-phenyl-12-(8-triphenylen-2-yl-9H-fluoren-3-yl)indolo[2,3-a]carbazole

C55H34N2 — CID 130409428

IUPAC11-phenyl-12-(8-triphenylen-2-yl-9H-fluoren-3-yl)indolo[2,3-a]carbazole
SMILESc1ccc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5ccc6c(c5)-c5cccc(-c7ccc8c9ccccc9c9ccccc9c8c7)c5C6)c4c32)cc1
InChIInChI=1S/C55H34N2/c1-2-13-36(14-3-1)56-52-23-10-8-19-45(52)47-29-30-48-46-20-9-11-24-53(46)57(55(48)54(47)56)37-27-25-35-32-50-38(21-12-22-43(50)49(35)33-37)34-26-28-44-41-17-5-4-15-39(41)40-16-6-7-18-42(40)51(44)31-34/h1-31,33H,32H2
InChIKeyHRZUJYDINGSMNQ-UHFFFAOYSA-N
MW722.89 g/mol
LogP14.58
Rot. Bonds3

About 11-phenyl-12-(8-triphenylen-2-yl-9H-fluoren-3-yl)indolo[2,3-a]carbazole

11-phenyl-12-(8-triphenylen-2-yl-9H-fluoren-3-yl)indolo[2,3-a]carbazole (PubChem CID 130409428) has the molecular formula C55H34N2 and a molecular weight of 722.89 g/mol. Its IUPAC name is 11-phenyl-12-(8-triphenylen-2-yl-9H-fluoren-3-yl)indolo[2,3-a]carbazole.

Molecular Properties

Compound Name11-phenyl-12-(8-triphenylen-2-yl-9H-fluoren-3-yl)indolo[2,3-a]carbazole
PubChem CID130409428
Molecular FormulaC55H34N2
Molecular Weight722.89 g/mol
Exact Mass722.27
IUPAC Name11-phenyl-12-(8-triphenylen-2-yl-9H-fluoren-3-yl)indolo[2,3-a]carbazole
SMILESc1ccc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5ccc6c(c5)-c5cccc(-c7ccc8c9ccccc9c9ccccc9c8c7)c5C6)c4c32)cc1
InChIInChI=1S/C55H34N2/c1-2-13-36(14-3-1)56-52-23-10-8-19-45(52)47-29-30-48-46-20-9-11-24-53(46)57(55(48)54(47)56)37-27-25-35-32-50-38(21-12-22-43(50)49(35)33-37)34-26-28-44-41-17-5-4-15-39(41)40-16-6-7-18-42(40)51(44)31-34/h1-31,33H,32H2
InChIKeyHRZUJYDINGSMNQ-UHFFFAOYSA-N
XLogP14.58
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500722.89
LogP ≤ 514.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9-[8-(3-triphenylen-2-ylphenyl)-9H-fluoren-3-yl]carbazole
CID 130409444
5-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-3-yl]-12-phenylindolo[3,2-c]carbazole
CID 144953418
12-(7-dibenzothiophen-4-yl-9H-fluoren-3-yl)-11-phenylindolo[2,3-a]carbazole
CID 170284179
9-phenyl-1-(3-triphenylen-2-ylphenyl)carbazole
CID 118014216
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
10-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-3-yl]carbazol-3-yl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole
CID 118562678
5-(9H-fluoren-3-yl)-12-phenylindolo[3,2-c]carbazole
CID 121289125
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
5-[7-(9H-fluoren-3-yl)-9H-fluoren-1-yl]-12-phenylindolo[3,2-c]carbazole
CID 170285170
3-tert-butyl-8-carbazol-9-yl-11-phenyl-12H-indeno[2,1-a]carbazole
CID 58489632
3-carbazol-9-yl-11-phenyl-8-(9-phenylfluoren-9-yl)-12H-indeno[2,1-a]carbazole
CID 58489697

Frequently Asked Questions

What is the IUPAC name of 11-phenyl-12-(8-triphenylen-2-yl-9H-fluoren-3-yl)indolo[2,3-a]carbazole?
The IUPAC name of 11-phenyl-12-(8-triphenylen-2-yl-9H-fluoren-3-yl)indolo[2,3-a]carbazole (CID 130409428) is 11-phenyl-12-(8-triphenylen-2-yl-9H-fluoren-3-yl)indolo[2,3-a]carbazole.
What is the SMILES notation for 11-phenyl-12-(8-triphenylen-2-yl-9H-fluoren-3-yl)indolo[2,3-a]carbazole?
The canonical SMILES for 11-phenyl-12-(8-triphenylen-2-yl-9H-fluoren-3-yl)indolo[2,3-a]carbazole is c1ccc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5ccc6c(c5)-c5cccc(-c7ccc8c9ccccc9c9ccccc9c8c7)c5C6)c4c32)cc1.
What is the InChIKey of 11-phenyl-12-(8-triphenylen-2-yl-9H-fluoren-3-yl)indolo[2,3-a]carbazole?
The InChIKey is HRZUJYDINGSMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H34N2/c1-2-13-36(14-3-1)56-52-23-10-8-19-45(52)47-29-30-48-46-20-9-11-24-53(46)57(55(48)54(47)56)37-27-25-35-32-50-38(21-12-22-43(50)49(35)33-37)34-26-28-44-41-17-5-4-15-39(41)40-16-6-7-18-42(40)51(44)31-34/h1-31,33H,32H2.
What are the key properties of 11-phenyl-12-(8-triphenylen-2-yl-9H-fluoren-3-yl)indolo[2,3-a]carbazole?
11-phenyl-12-(8-triphenylen-2-yl-9H-fluoren-3-yl)indolo[2,3-a]carbazole has a molecular weight of 722.89 g/mol, XLogP of 14.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-phenyl-12-(8-triphenylen-2-yl-9H-fluoren-3-yl)indolo[2,3-a]carbazole is sourced from PubChem (CID 130409428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).