9-phenyl-3-(5,5,6,6-tetramethylpicen-3-yl)carbazole

C44H35N — CID 163551395

IUPAC9-phenyl-3-(5,5,6,6-tetramethylpicen-3-yl)carbazole
SMILESCC1(C)c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc2-c2ccc3c(ccc4ccccc43)c2C1(C)C
InChIInChI=1S/C44H35N/c1-43(2)39-27-30(29-20-25-41-38(26-29)35-16-10-11-17-40(35)45(41)31-13-6-5-7-14-31)19-21-34(39)37-24-23-33-32-15-9-8-12-28(32)18-22-36(33)42(37)44(43,3)4/h5-27H,1-4H3
InChIKeySAQDFGZEWPZQCM-UHFFFAOYSA-N
MW577.77 g/mol
LogP11.99
Rot. Bonds2

About 9-phenyl-3-(5,5,6,6-tetramethylpicen-3-yl)carbazole

9-phenyl-3-(5,5,6,6-tetramethylpicen-3-yl)carbazole (PubChem CID 163551395) has the molecular formula C44H35N and a molecular weight of 577.77 g/mol. Its IUPAC name is 9-phenyl-3-(5,5,6,6-tetramethylpicen-3-yl)carbazole.

Molecular Properties

Compound Name9-phenyl-3-(5,5,6,6-tetramethylpicen-3-yl)carbazole
PubChem CID163551395
Molecular FormulaC44H35N
Molecular Weight577.77 g/mol
Exact Mass577.28
IUPAC Name9-phenyl-3-(5,5,6,6-tetramethylpicen-3-yl)carbazole
SMILESCC1(C)c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc2-c2ccc3c(ccc4ccccc43)c2C1(C)C
InChIInChI=1S/C44H35N/c1-43(2)39-27-30(29-20-25-41-38(26-29)35-16-10-11-17-40(35)45(41)31-13-6-5-7-14-31)19-21-34(39)37-24-23-33-32-15-9-8-12-28(32)18-22-36(33)42(37)44(43,3)4/h5-27H,1-4H3
InChIKeySAQDFGZEWPZQCM-UHFFFAOYSA-N
XLogP11.99
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.77
LogP ≤ 511.99
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-[9,9-dimethyl-7-[6-(9-phenylcarbazol-3-yl)naphthalen-2-yl]fluoren-2-yl]naphthalen-2-yl]-9-phenylcarbazole
CID 59236707
3-[4-[9,9-dimethyl-7-(9-naphthalen-1-ylcarbazol-3-yl)fluoren-2-yl]phenyl]-9-phenylcarbazole
CID 59236549
3-[4-[7-[9,9-dimethyl-7-(9-naphthalen-1-ylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-9-phenylcarbazole
CID 59236669
5-phenanthren-1-yl-9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 134369811
3-(4-phenanthren-3-ylphenyl)-9-phenylcarbazole
CID 88569888
3-[10-[4-(25,25-dimethyl-5-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaenyl)phenyl]anthracen-9-yl]-9-phenylcarbazole
CID 121431052
N-(9,9-dimethylfluoren-2-yl)-5,5,6,6-tetramethyl-N-phenylpicen-3-amine;N-phenyl-N-(5,5,6,6-tetramethylpicen-3-yl)dibenzothiophen-2-amine;9-[4-(5,5,6,6-tetramethylpicen-3-yl)phenyl]carbazole
CID 163664990
3-[4-[9,9-dimethyl-7-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]fluoren-2-yl]naphthalen-1-yl]-9-phenylcarbazole
CID 59236172
3-[3-(9,9-dimethylfluoren-2-yl)-5-triphenylen-2-ylphenyl]-6,9-diphenylcarbazole;9-phenyl-3-[3-(3-phenylphenyl)-5-triphenylen-2-ylphenyl]carbazole;9-phenyl-3-[3-(4-phenylphenyl)-5-triphenylen-2-ylphenyl]carbazole
CID 161477367
9-phenyl-2-[4-phenyl-6-[3-(9,9,10,10-tetramethylphenanthren-2-yl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 170259795
12,12-dimethyl-8-(9-naphthalen-2-ylcarbazol-3-yl)-11-phenylindeno[2,1-a]carbazole
CID 121343398
N-[9,9-dimethyl-7-(9-phenylcarbazol-2-yl)fluoren-2-yl]-9,9-dimethyl-N-naphthalen-1-yl-7-(9-phenylcarbazol-3-yl)fluoren-2-amine
CID 89212870

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-3-(5,5,6,6-tetramethylpicen-3-yl)carbazole?
The IUPAC name of 9-phenyl-3-(5,5,6,6-tetramethylpicen-3-yl)carbazole (CID 163551395) is 9-phenyl-3-(5,5,6,6-tetramethylpicen-3-yl)carbazole.
What is the SMILES notation for 9-phenyl-3-(5,5,6,6-tetramethylpicen-3-yl)carbazole?
The canonical SMILES for 9-phenyl-3-(5,5,6,6-tetramethylpicen-3-yl)carbazole is CC1(C)c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc2-c2ccc3c(ccc4ccccc43)c2C1(C)C.
What is the InChIKey of 9-phenyl-3-(5,5,6,6-tetramethylpicen-3-yl)carbazole?
The InChIKey is SAQDFGZEWPZQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H35N/c1-43(2)39-27-30(29-20-25-41-38(26-29)35-16-10-11-17-40(35)45(41)31-13-6-5-7-14-31)19-21-34(39)37-24-23-33-32-15-9-8-12-28(32)18-22-36(33)42(37)44(43,3)4/h5-27H,1-4H3.
What are the key properties of 9-phenyl-3-(5,5,6,6-tetramethylpicen-3-yl)carbazole?
9-phenyl-3-(5,5,6,6-tetramethylpicen-3-yl)carbazole has a molecular weight of 577.77 g/mol, XLogP of 11.99, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-3-(5,5,6,6-tetramethylpicen-3-yl)carbazole is sourced from PubChem (CID 163551395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).