3-[6-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-9H-fluoren-3-yl]-9-phenyl-6-(2,4,6-trimethylphenyl)carbazole

C70H58N2 — CID 175636434

IUPAC3-[6-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-9H-fluoren-3-yl]-9-phenyl-6-(2,4,6-trimethylphenyl)carbazole
SMILESCc1cc(C)c(-c2ccc3c(c2)c2cc(-c4ccc5c(c4)-c4cc(-n6c7ccc(-c8c(C)cc(C)cc8C)cc7c7cc(-c8c(C)cc(C)cc8C)ccc76)ccc4C5)ccc2n3-c2ccccc2)c(C)c1
InChIInChI=1S/C70H58N2/c1-40-27-43(4)68(44(5)28-40)53-19-24-65-61(36-53)60-35-50(18-23-64(60)71(65)56-13-11-10-12-14-56)49-15-16-51-33-52-17-22-57(39-59(52)58(51)34-49)72-66-25-20-54(69-45(6)29-41(2)30-46(69)7)37-62(66)63-38-55(21-26-67(63)72)70-47(8)31-42(3)32-48(70)9/h10-32,34-39H,33H2,1-9H3
InChIKeyAVJHYCAVOCKHET-UHFFFAOYSA-N
MW927.25 g/mol
LogP18.90
Rot. Bonds6

About 3-[6-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-9H-fluoren-3-yl]-9-phenyl-6-(2,4,6-trimethylphenyl)carbazole

3-[6-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-9H-fluoren-3-yl]-9-phenyl-6-(2,4,6-trimethylphenyl)carbazole (PubChem CID 175636434) has the molecular formula C70H58N2 and a molecular weight of 927.25 g/mol. Its IUPAC name is 3-[6-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-9H-fluoren-3-yl]-9-phenyl-6-(2,4,6-trimethylphenyl)carbazole.

Molecular Properties

Compound Name3-[6-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-9H-fluoren-3-yl]-9-phenyl-6-(2,4,6-trimethylphenyl)carbazole
PubChem CID175636434
Molecular FormulaC70H58N2
Molecular Weight927.25 g/mol
Exact Mass926.46
IUPAC Name3-[6-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-9H-fluoren-3-yl]-9-phenyl-6-(2,4,6-trimethylphenyl)carbazole
SMILESCc1cc(C)c(-c2ccc3c(c2)c2cc(-c4ccc5c(c4)-c4cc(-n6c7ccc(-c8c(C)cc(C)cc8C)cc7c7cc(-c8c(C)cc(C)cc8C)ccc76)ccc4C5)ccc2n3-c2ccccc2)c(C)c1
InChIInChI=1S/C70H58N2/c1-40-27-43(4)68(44(5)28-40)53-19-24-65-61(36-53)60-35-50(18-23-64(60)71(65)56-13-11-10-12-14-56)49-15-16-51-33-52-17-22-57(39-59(52)58(51)34-49)72-66-25-20-54(69-45(6)29-41(2)30-46(69)7)37-62(66)63-38-55(21-26-67(63)72)70-47(8)31-42(3)32-48(70)9/h10-32,34-39H,33H2,1-9H3
InChIKeyAVJHYCAVOCKHET-UHFFFAOYSA-N
XLogP18.90
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500927.25
LogP ≤ 518.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-phenyl-3-[9-(9-phenylcarbazol-3-yl)-6-(2,4,6-trimethylphenyl)carbazol-3-yl]-6-(2,4,6-trimethylphenyl)carbazole
CID 71232756
3,6-bis(2,4,6-trimethylphenyl)-9H-fluorene;titanium
CID 174651733
9-(4-bromophenyl)-10-phenylanthracene;methane;9-[4-(10-phenylanthracen-9-yl)phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-phenyl-3-[6-(9-phenylcarbazol-3-yl)-9H-fluoren-3-yl]carbazole
CID 159346046
2-[9-(9H-fluoren-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 121241600
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
9-(9H-fluoren-3-yl)-14-(4-methylphenyl)-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 163468224
3,6-bis[3,5-bis(3,5-dimethylphenyl)phenyl]-9-phenylcarbazole
CID 170283637
9-(4-propylphenyl)-3-[6-[9-(4-propylphenyl)carbazol-3-yl]-9H-fluoren-3-yl]carbazole
CID 158482267
3-carbazol-9-yl-9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-3-yl]carbazole
CID 159941537
9-(6-carbazol-9-yl-9H-fluoren-3-yl)carbazole
CID 59464809
3,6-bis(3,6-diphenylcarbazol-9-yl)-9-phenylcarbazole
CID 170001752
3-(4-methylphenyl)-6,9-diphenylcarbazole
CID 90290564

Frequently Asked Questions

What is the IUPAC name of 3-[6-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-9H-fluoren-3-yl]-9-phenyl-6-(2,4,6-trimethylphenyl)carbazole?
The IUPAC name of 3-[6-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-9H-fluoren-3-yl]-9-phenyl-6-(2,4,6-trimethylphenyl)carbazole (CID 175636434) is 3-[6-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-9H-fluoren-3-yl]-9-phenyl-6-(2,4,6-trimethylphenyl)carbazole.
What is the SMILES notation for 3-[6-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-9H-fluoren-3-yl]-9-phenyl-6-(2,4,6-trimethylphenyl)carbazole?
The canonical SMILES for 3-[6-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-9H-fluoren-3-yl]-9-phenyl-6-(2,4,6-trimethylphenyl)carbazole is Cc1cc(C)c(-c2ccc3c(c2)c2cc(-c4ccc5c(c4)-c4cc(-n6c7ccc(-c8c(C)cc(C)cc8C)cc7c7cc(-c8c(C)cc(C)cc8C)ccc76)ccc4C5)ccc2n3-c2ccccc2)c(C)c1.
What is the InChIKey of 3-[6-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-9H-fluoren-3-yl]-9-phenyl-6-(2,4,6-trimethylphenyl)carbazole?
The InChIKey is AVJHYCAVOCKHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H58N2/c1-40-27-43(4)68(44(5)28-40)53-19-24-65-61(36-53)60-35-50(18-23-64(60)71(65)56-13-11-10-12-14-56)49-15-16-51-33-52-17-22-57(39-59(52)58(51)34-49)72-66-25-20-54(69-45(6)29-41(2)30-46(69)7)37-62(66)63-38-55(21-26-67(63)72)70-47(8)31-42(3)32-48(70)9/h10-32,34-39H,33H2,1-9H3.
What are the key properties of 3-[6-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-9H-fluoren-3-yl]-9-phenyl-6-(2,4,6-trimethylphenyl)carbazole?
3-[6-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-9H-fluoren-3-yl]-9-phenyl-6-(2,4,6-trimethylphenyl)carbazole has a molecular weight of 927.25 g/mol, XLogP of 18.90, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-9H-fluoren-3-yl]-9-phenyl-6-(2,4,6-trimethylphenyl)carbazole is sourced from PubChem (CID 175636434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).