1-[8-(9H-carbazol-1-yl)-10-naphthalen-2-ylanthracen-1-yl]-9-ethylcarbazole

C50H34N2 — CID 157396827

IUPAC1-[8-(9H-carbazol-1-yl)-10-naphthalen-2-ylanthracen-1-yl]-9-ethylcarbazole
SMILESCCn1c2ccccc2c2cccc(-c3cccc4c(-c5ccc6ccccc6c5)c5cccc(-c6cccc7c6[nH]c6ccccc67)c5cc34)c21
InChIInChI=1S/C50H34N2/c1-2-52-47-26-8-6-16-37(47)43-24-12-23-42(50(43)52)35-18-10-20-39-45(35)30-44-34(40-21-11-22-41-36-15-5-7-25-46(36)51-49(40)41)17-9-19-38(44)48(39)33-28-27-31-13-3-4-14-32(31)29-33/h3-30,51H,2H2,1H3
InChIKeyXAEMBJCPRHFWTP-UHFFFAOYSA-N
MW662.84 g/mol
LogP13.91
Rot. Bonds4

About 1-[8-(9H-carbazol-1-yl)-10-naphthalen-2-ylanthracen-1-yl]-9-ethylcarbazole

1-[8-(9H-carbazol-1-yl)-10-naphthalen-2-ylanthracen-1-yl]-9-ethylcarbazole (PubChem CID 157396827) has the molecular formula C50H34N2 and a molecular weight of 662.84 g/mol. Its IUPAC name is 1-[8-(9H-carbazol-1-yl)-10-naphthalen-2-ylanthracen-1-yl]-9-ethylcarbazole.

Molecular Properties

Compound Name1-[8-(9H-carbazol-1-yl)-10-naphthalen-2-ylanthracen-1-yl]-9-ethylcarbazole
PubChem CID157396827
Molecular FormulaC50H34N2
Molecular Weight662.84 g/mol
Exact Mass662.27
IUPAC Name1-[8-(9H-carbazol-1-yl)-10-naphthalen-2-ylanthracen-1-yl]-9-ethylcarbazole
SMILESCCn1c2ccccc2c2cccc(-c3cccc4c(-c5ccc6ccccc6c5)c5cccc(-c6cccc7c6[nH]c6ccccc67)c5cc34)c21
InChIInChI=1S/C50H34N2/c1-2-52-47-26-8-6-16-37(47)43-24-12-23-42(50(43)52)35-18-10-20-39-45(35)30-44-34(40-21-11-22-41-36-15-5-7-25-46(36)51-49(40)41)17-9-19-38(44)48(39)33-28-27-31-13-3-4-14-32(31)29-33/h3-30,51H,2H2,1H3
InChIKeyXAEMBJCPRHFWTP-UHFFFAOYSA-N
XLogP13.91
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.84
LogP ≤ 513.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[8-(9H-carbazol-1-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-1-yl]-9-methylcarbazole
CID 176643859
1-[8-(9H-carbazol-1-yl)-10-(2,5-diphenylphenyl)anthracen-1-yl]-9-methylcarbazole
CID 161384973
1-[8-(9H-carbazol-1-yl)-10-spiro[benzo[c]fluorene-7,9'-fluorene]-6-ylanthracen-1-yl]-9-methylcarbazole
CID 176643891
9-ethyl-3-[8-(9-ethylcarbazol-3-yl)-10-(10-phenylanthracen-9-yl)anthracen-1-yl]carbazole
CID 155333067
9H-carbazole;9-ethylcarbazole
CID 159391034
8-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-11H-benzo[a]carbazole
CID 90433601
ethane;9-naphthalen-1-yl-10-naphthalen-2-ylanthracene
CID 91401240
4-(10-naphthalen-2-ylanthracen-9-yl)-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 134252656
9-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-11H-benzo[a]carbazole
CID 90433357
24-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-20-azaheptacyclo[18.10.1.02,7.08,13.014,19.021,26.027,31]hentriaconta-1(31),2,4,6,8,10,12,14,16,18,21(26),22,24,27,29-pentadecaene
CID 139574673
9-ethyl-4-[8-(9-ethylcarbazol-4-yl)-10-pyren-4-ylanthracen-1-yl]carbazole
CID 155334836
4-[10-anthracen-9-yl-8-(9-ethylcarbazol-4-yl)anthracen-1-yl]-9-ethylcarbazole
CID 155333735

Frequently Asked Questions

What is the IUPAC name of 1-[8-(9H-carbazol-1-yl)-10-naphthalen-2-ylanthracen-1-yl]-9-ethylcarbazole?
The IUPAC name of 1-[8-(9H-carbazol-1-yl)-10-naphthalen-2-ylanthracen-1-yl]-9-ethylcarbazole (CID 157396827) is 1-[8-(9H-carbazol-1-yl)-10-naphthalen-2-ylanthracen-1-yl]-9-ethylcarbazole.
What is the SMILES notation for 1-[8-(9H-carbazol-1-yl)-10-naphthalen-2-ylanthracen-1-yl]-9-ethylcarbazole?
The canonical SMILES for 1-[8-(9H-carbazol-1-yl)-10-naphthalen-2-ylanthracen-1-yl]-9-ethylcarbazole is CCn1c2ccccc2c2cccc(-c3cccc4c(-c5ccc6ccccc6c5)c5cccc(-c6cccc7c6[nH]c6ccccc67)c5cc34)c21.
What is the InChIKey of 1-[8-(9H-carbazol-1-yl)-10-naphthalen-2-ylanthracen-1-yl]-9-ethylcarbazole?
The InChIKey is XAEMBJCPRHFWTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H34N2/c1-2-52-47-26-8-6-16-37(47)43-24-12-23-42(50(43)52)35-18-10-20-39-45(35)30-44-34(40-21-11-22-41-36-15-5-7-25-46(36)51-49(40)41)17-9-19-38(44)48(39)33-28-27-31-13-3-4-14-32(31)29-33/h3-30,51H,2H2,1H3.
What are the key properties of 1-[8-(9H-carbazol-1-yl)-10-naphthalen-2-ylanthracen-1-yl]-9-ethylcarbazole?
1-[8-(9H-carbazol-1-yl)-10-naphthalen-2-ylanthracen-1-yl]-9-ethylcarbazole has a molecular weight of 662.84 g/mol, XLogP of 13.91, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-(9H-carbazol-1-yl)-10-naphthalen-2-ylanthracen-1-yl]-9-ethylcarbazole is sourced from PubChem (CID 157396827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).