11,11-dimethyl-5-phenyl-8-(6-phenylpyren-1-yl)indeno[1,2-b]carbazole

C49H33N — CID 169035317

IUPAC11,11-dimethyl-5-phenyl-8-(6-phenylpyren-1-yl)indeno[1,2-b]carbazole
SMILESCC1(C)c2ccc(-c3ccc4ccc5c(-c6ccccc6)ccc6ccc3c4c65)cc2-c2cc3c(cc21)c1ccccc1n3-c1ccccc1
InChIInChI=1S/C49H33N/c1-49(2)43-26-21-33(27-40(43)41-29-46-42(28-44(41)49)37-15-9-10-16-45(37)50(46)34-13-7-4-8-14-34)36-23-18-32-19-24-38-35(30-11-5-3-6-12-30)22-17-31-20-25-39(36)48(32)47(31)38/h3-29H,1-2H3
InChIKeyTWIDZEAWKZTEGS-UHFFFAOYSA-N
MW635.81 g/mol
LogP13.32
Rot. Bonds3

About 11,11-dimethyl-5-phenyl-8-(6-phenylpyren-1-yl)indeno[1,2-b]carbazole

11,11-dimethyl-5-phenyl-8-(6-phenylpyren-1-yl)indeno[1,2-b]carbazole (PubChem CID 169035317) has the molecular formula C49H33N and a molecular weight of 635.81 g/mol. Its IUPAC name is 11,11-dimethyl-5-phenyl-8-(6-phenylpyren-1-yl)indeno[1,2-b]carbazole.

Molecular Properties

Compound Name11,11-dimethyl-5-phenyl-8-(6-phenylpyren-1-yl)indeno[1,2-b]carbazole
PubChem CID169035317
Molecular FormulaC49H33N
Molecular Weight635.81 g/mol
Exact Mass635.26
IUPAC Name11,11-dimethyl-5-phenyl-8-(6-phenylpyren-1-yl)indeno[1,2-b]carbazole
SMILESCC1(C)c2ccc(-c3ccc4ccc5c(-c6ccccc6)ccc6ccc3c4c65)cc2-c2cc3c(cc21)c1ccccc1n3-c1ccccc1
InChIInChI=1S/C49H33N/c1-49(2)43-26-21-33(27-40(43)41-29-46-42(28-44(41)49)37-15-9-10-16-45(37)50(46)34-13-7-4-8-14-34)36-23-18-32-19-24-38-35(30-11-5-3-6-12-30)22-17-31-20-25-39(36)48(32)47(31)38/h3-29H,1-2H3
InChIKeyTWIDZEAWKZTEGS-UHFFFAOYSA-N
XLogP13.32
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500635.81
LogP ≤ 513.32
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

7,7-dimethyl-5-[3-[6-(2-phenylphenyl)pyren-1-yl]phenyl]indeno[2,1-b]carbazole
CID 176780512
9-phenyl-2-[6-(9-phenylcarbazol-2-yl)pyren-1-yl]carbazole
CID 139341260
4-(6-fluoranthen-3-yl-9,9-dimethylfluoren-3-yl)-9-phenylcarbazole;2-(6-fluoranthen-3-ylnaphthalen-2-yl)-9-phenylcarbazole;3-(6-fluoranthen-3-ylnaphthalen-2-yl)-9-phenylcarbazole;4-(6-fluoranthen-3-ylnaphthalen-2-yl)-9-phenylcarbazole;2-(3-fluoranthen-3-ylphenyl)-9-phenylcarbazole;2-(4-fluoranthen-3-ylphenyl)-9-phenylcarbazole;3-(3-fluoranthen-3-ylphenyl)-9-phenylcarbazole;4-(3-fluoranthen-3-ylphenyl)-9-phenylcarbazole;methane
CID 158170638
11,11-dimethyl-5-(4-phenylphenyl)indeno[1,2-b]carbazole
CID 58059239
11,11-dimethyl-5-phenylindeno[1,2-b]carbazole
CID 58059223
7,7-dimethyl-5-phenyl-2-(4-phenylnaphthalen-1-yl)indeno[2,1-b]carbazole
CID 170395420
3-[4-[9,9-dimethyl-7-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]fluoren-2-yl]naphthalen-1-yl]-9-phenylcarbazole
CID 59236172
9-phenyl-2-(6-pyridin-4-ylpyren-1-yl)carbazole
CID 135130218
7-carbazol-9-yl-9,9-dimethyl-N,N-bis[4-(9-phenylcarbazol-2-yl)naphthalen-1-yl]fluoren-2-amine
CID 89213127
5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole
CID 58059235
7-phenyl-5-[6-[4-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]pyren-1-yl]indolo[2,3-b]carbazole
CID 118516736
7-phenyl-5-[3-[6-(3-phenylphenyl)pyren-1-yl]phenyl]indolo[2,3-b]carbazole
CID 176780561

Frequently Asked Questions

What is the IUPAC name of 11,11-dimethyl-5-phenyl-8-(6-phenylpyren-1-yl)indeno[1,2-b]carbazole?
The IUPAC name of 11,11-dimethyl-5-phenyl-8-(6-phenylpyren-1-yl)indeno[1,2-b]carbazole (CID 169035317) is 11,11-dimethyl-5-phenyl-8-(6-phenylpyren-1-yl)indeno[1,2-b]carbazole.
What is the SMILES notation for 11,11-dimethyl-5-phenyl-8-(6-phenylpyren-1-yl)indeno[1,2-b]carbazole?
The canonical SMILES for 11,11-dimethyl-5-phenyl-8-(6-phenylpyren-1-yl)indeno[1,2-b]carbazole is CC1(C)c2ccc(-c3ccc4ccc5c(-c6ccccc6)ccc6ccc3c4c65)cc2-c2cc3c(cc21)c1ccccc1n3-c1ccccc1.
What is the InChIKey of 11,11-dimethyl-5-phenyl-8-(6-phenylpyren-1-yl)indeno[1,2-b]carbazole?
The InChIKey is TWIDZEAWKZTEGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H33N/c1-49(2)43-26-21-33(27-40(43)41-29-46-42(28-44(41)49)37-15-9-10-16-45(37)50(46)34-13-7-4-8-14-34)36-23-18-32-19-24-38-35(30-11-5-3-6-12-30)22-17-31-20-25-39(36)48(32)47(31)38/h3-29H,1-2H3.
What are the key properties of 11,11-dimethyl-5-phenyl-8-(6-phenylpyren-1-yl)indeno[1,2-b]carbazole?
11,11-dimethyl-5-phenyl-8-(6-phenylpyren-1-yl)indeno[1,2-b]carbazole has a molecular weight of 635.81 g/mol, XLogP of 13.32, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11,11-dimethyl-5-phenyl-8-(6-phenylpyren-1-yl)indeno[1,2-b]carbazole is sourced from PubChem (CID 169035317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).