4-[10-(11,11-dimethylbenzo[a]fluoren-5-yl)anthracen-9-yl]-9H-carbazole

C45H31N — CID 170091383

IUPAC4-[10-(11,11-dimethylbenzo[a]fluoren-5-yl)anthracen-9-yl]-9H-carbazole
SMILESCC1(C)c2ccccc2-c2cc(-c3c4ccccc4c(-c4cccc5[nH]c6ccccc6c45)c4ccccc34)c3ccccc3c21
InChIInChI=1S/C45H31N/c1-45(2)38-23-11-9-15-28(38)37-26-36(27-14-3-8-20-33(27)44(37)45)42-31-18-6-4-16-29(31)41(30-17-5-7-19-32(30)42)35-22-13-25-40-43(35)34-21-10-12-24-39(34)46-40/h3-26,46H,1-2H3
InChIKeyGMNXZSBEXJSXBN-UHFFFAOYSA-N
MW585.75 g/mol
LogP12.42
Rot. Bonds2

About 4-[10-(11,11-dimethylbenzo[a]fluoren-5-yl)anthracen-9-yl]-9H-carbazole

4-[10-(11,11-dimethylbenzo[a]fluoren-5-yl)anthracen-9-yl]-9H-carbazole (PubChem CID 170091383) has the molecular formula C45H31N and a molecular weight of 585.75 g/mol. Its IUPAC name is 4-[10-(11,11-dimethylbenzo[a]fluoren-5-yl)anthracen-9-yl]-9H-carbazole.

Molecular Properties

Compound Name4-[10-(11,11-dimethylbenzo[a]fluoren-5-yl)anthracen-9-yl]-9H-carbazole
PubChem CID170091383
Molecular FormulaC45H31N
Molecular Weight585.75 g/mol
Exact Mass585.25
IUPAC Name4-[10-(11,11-dimethylbenzo[a]fluoren-5-yl)anthracen-9-yl]-9H-carbazole
SMILESCC1(C)c2ccccc2-c2cc(-c3c4ccccc4c(-c4cccc5[nH]c6ccccc6c45)c4ccccc34)c3ccccc3c21
InChIInChI=1S/C45H31N/c1-45(2)38-23-11-9-15-28(38)37-26-36(27-14-3-8-20-33(27)44(37)45)42-31-18-6-4-16-29(31)41(30-17-5-7-19-32(30)42)35-22-13-25-40-43(35)34-21-10-12-24-39(34)46-40/h3-26,46H,1-2H3
InChIKeyGMNXZSBEXJSXBN-UHFFFAOYSA-N
XLogP12.42
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.75
LogP ≤ 512.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

10,10,12,12-tetramethyl-11-(10-naphthalen-1-ylanthracen-9-yl)indeno[2,1-b]fluorene
CID 160577000
3-[10-(11,11-dimethylbenzo[a]fluoren-5-yl)anthracen-9-yl]dibenzofuran
CID 122426638
2-[10-(11,11-dimethylbenzo[a]fluoren-5-yl)anthracen-9-yl]dibenzofuran
CID 164758476
7,7,12,12-tetramethyl-6-(10-phenylanthracen-9-yl)indeno[1,2-c]fluorene
CID 158811185
15,15-dimethyl-23-phenyl-9,23-diazahexacyclo[11.10.0.02,10.03,8.014,22.016,21]tricosa-1(13),2(10),3,5,7,11,14(22),16,18,20-decaene
CID 90270217
19,19-dimethyl-9-azaheptacyclo[15.11.0.02,10.03,8.011,16.018,26.020,25]octacosa-1(17),2(10),3,5,7,11,13,15,18(26),20,22,24,27-tridecaene
CID 126738032
11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaene
CID 66805182
10,10-dimethyl-22-azahexacyclo[17.2.1.03,11.04,9.012,21.015,20]docosa-1(21),2,4,6,8,11,15(20),16,18-nonaene
CID 90135851
6-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-7,7,12,12-tetramethylindeno[1,2-c]fluorene
CID 161226444
10,10,12,12-tetramethyl-11-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]indeno[2,1-b]fluorene
CID 161253003
2-(9,9-dimethylfluoren-2-yl)-9H-carbazole
CID 126651978
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-9H-carbazol-4-amine
CID 163837287

Frequently Asked Questions

What is the IUPAC name of 4-[10-(11,11-dimethylbenzo[a]fluoren-5-yl)anthracen-9-yl]-9H-carbazole?
The IUPAC name of 4-[10-(11,11-dimethylbenzo[a]fluoren-5-yl)anthracen-9-yl]-9H-carbazole (CID 170091383) is 4-[10-(11,11-dimethylbenzo[a]fluoren-5-yl)anthracen-9-yl]-9H-carbazole.
What is the SMILES notation for 4-[10-(11,11-dimethylbenzo[a]fluoren-5-yl)anthracen-9-yl]-9H-carbazole?
The canonical SMILES for 4-[10-(11,11-dimethylbenzo[a]fluoren-5-yl)anthracen-9-yl]-9H-carbazole is CC1(C)c2ccccc2-c2cc(-c3c4ccccc4c(-c4cccc5[nH]c6ccccc6c45)c4ccccc34)c3ccccc3c21.
What is the InChIKey of 4-[10-(11,11-dimethylbenzo[a]fluoren-5-yl)anthracen-9-yl]-9H-carbazole?
The InChIKey is GMNXZSBEXJSXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H31N/c1-45(2)38-23-11-9-15-28(38)37-26-36(27-14-3-8-20-33(27)44(37)45)42-31-18-6-4-16-29(31)41(30-17-5-7-19-32(30)42)35-22-13-25-40-43(35)34-21-10-12-24-39(34)46-40/h3-26,46H,1-2H3.
What are the key properties of 4-[10-(11,11-dimethylbenzo[a]fluoren-5-yl)anthracen-9-yl]-9H-carbazole?
4-[10-(11,11-dimethylbenzo[a]fluoren-5-yl)anthracen-9-yl]-9H-carbazole has a molecular weight of 585.75 g/mol, XLogP of 12.42, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[10-(11,11-dimethylbenzo[a]fluoren-5-yl)anthracen-9-yl]-9H-carbazole is sourced from PubChem (CID 170091383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).