3,6-ditert-butyl-9-(8-triphenylen-2-yl-9H-fluoren-1-yl)carbazole

C51H43N — CID 134509749

IUPAC3,6-ditert-butyl-9-(8-triphenylen-2-yl-9H-fluoren-1-yl)carbazole
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1cccc2c1Cc1c(-c3ccc4c5ccccc5c5ccccc5c4c3)cccc1-2
InChIInChI=1S/C51H43N/c1-50(2,3)32-22-25-48-44(28-32)45-29-33(51(4,5)6)23-26-49(45)52(48)47-20-12-19-40-39-18-11-17-34(43(39)30-46(40)47)31-21-24-41-37-15-8-7-13-35(37)36-14-9-10-16-38(36)42(41)27-31/h7-29H,30H2,1-6H3
InChIKeySDHCMNLDPPAJNB-UHFFFAOYSA-N
MW669.91 g/mol
LogP14.08
Rot. Bonds2

About 3,6-ditert-butyl-9-(8-triphenylen-2-yl-9H-fluoren-1-yl)carbazole

3,6-ditert-butyl-9-(8-triphenylen-2-yl-9H-fluoren-1-yl)carbazole (PubChem CID 134509749) has the molecular formula C51H43N and a molecular weight of 669.91 g/mol. Its IUPAC name is 3,6-ditert-butyl-9-(8-triphenylen-2-yl-9H-fluoren-1-yl)carbazole.

Molecular Properties

Compound Name3,6-ditert-butyl-9-(8-triphenylen-2-yl-9H-fluoren-1-yl)carbazole
PubChem CID134509749
Molecular FormulaC51H43N
Molecular Weight669.91 g/mol
Exact Mass669.34
IUPAC Name3,6-ditert-butyl-9-(8-triphenylen-2-yl-9H-fluoren-1-yl)carbazole
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1cccc2c1Cc1c(-c3ccc4c5ccccc5c5ccccc5c4c3)cccc1-2
InChIInChI=1S/C51H43N/c1-50(2,3)32-22-25-48-44(28-32)45-29-33(51(4,5)6)23-26-49(45)52(48)47-20-12-19-40-39-18-11-17-34(43(39)30-46(40)47)31-21-24-41-37-15-8-7-13-35(37)36-14-9-10-16-38(36)42(41)27-31/h7-29H,30H2,1-6H3
InChIKeySDHCMNLDPPAJNB-UHFFFAOYSA-N
XLogP14.08
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500669.91
LogP ≤ 514.08
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

3,6-dimethyl-9-[3-(8-triphenylen-2-yl-9H-fluoren-1-yl)phenyl]carbazole
CID 134509745
4-[3-[9-(8-phenyl-9H-fluoren-1-yl)carbazol-3-yl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 122537484
3,6-dimethyl-9-(8-triphenylen-2-yl-9H-fluoren-1-yl)carbazole;3,6-dimethyl-9-[4-(8-triphenylen-2-yl-9H-fluoren-1-yl)phenyl]carbazole;3-[9-(4-methylphenyl)carbazol-3-yl]-9-(8-triphenylen-2-yl-9H-fluoren-1-yl)carbazole;3-methyl-6-(trideuteriomethyl)-9-[3-(8-triphenylen-2-yl-9H-fluoren-1-yl)phenyl]carbazole;3-methyl-6-(trideuteriomethyl)-9-[9-[4-(8-triphenylen-2-yl-9H-fluoren-1-yl)phenyl]carbazol-3-yl]carbazole
CID 158044646
9-[2-(6-tert-butyl-9-phenylcarbazol-3-yl)phenyl]-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 176824399
2-[8-(2-methylphenyl)-9H-fluoren-1-yl]triphenylene
CID 157108614
9-[2-(7-tert-butyl-9-phenylcarbazol-3-yl)phenyl]-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 176824256
3,6-ditert-butyl-9-(1,2,3,4-tetrahydroquinolin-5-yl)carbazole
CID 166589169
9-(8-phenyl-9H-fluoren-1-yl)-14-(4-phenylphenyl)-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 134488126
9-[4-[2-(3-tert-butylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-3,6-bis(2-phenylphenyl)carbazole
CID 167285139
2-[9-(9H-fluoren-1-yl)carbazol-3-yl]-9-phenylcarbazole
CID 121241625
2,11-bis(9H-fluoren-1-yl)triphenylene
CID 59489264
19-triphenylen-2-ylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene
CID 58489419

Frequently Asked Questions

What is the IUPAC name of 3,6-ditert-butyl-9-(8-triphenylen-2-yl-9H-fluoren-1-yl)carbazole?
The IUPAC name of 3,6-ditert-butyl-9-(8-triphenylen-2-yl-9H-fluoren-1-yl)carbazole (CID 134509749) is 3,6-ditert-butyl-9-(8-triphenylen-2-yl-9H-fluoren-1-yl)carbazole.
What is the SMILES notation for 3,6-ditert-butyl-9-(8-triphenylen-2-yl-9H-fluoren-1-yl)carbazole?
The canonical SMILES for 3,6-ditert-butyl-9-(8-triphenylen-2-yl-9H-fluoren-1-yl)carbazole is CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1cccc2c1Cc1c(-c3ccc4c5ccccc5c5ccccc5c4c3)cccc1-2.
What is the InChIKey of 3,6-ditert-butyl-9-(8-triphenylen-2-yl-9H-fluoren-1-yl)carbazole?
The InChIKey is SDHCMNLDPPAJNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H43N/c1-50(2,3)32-22-25-48-44(28-32)45-29-33(51(4,5)6)23-26-49(45)52(48)47-20-12-19-40-39-18-11-17-34(43(39)30-46(40)47)31-21-24-41-37-15-8-7-13-35(37)36-14-9-10-16-38(36)42(41)27-31/h7-29H,30H2,1-6H3.
What are the key properties of 3,6-ditert-butyl-9-(8-triphenylen-2-yl-9H-fluoren-1-yl)carbazole?
3,6-ditert-butyl-9-(8-triphenylen-2-yl-9H-fluoren-1-yl)carbazole has a molecular weight of 669.91 g/mol, XLogP of 14.08, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-ditert-butyl-9-(8-triphenylen-2-yl-9H-fluoren-1-yl)carbazole is sourced from PubChem (CID 134509749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).