3-[10-(4a,8a-dihydronaphthalen-1-yl)anthracen-9-yl]-6-(10-naphthalen-1-ylanthracen-9-yl)-9-phenylcarbazole;9-ethyl-3-(10-naphthalen-2-ylanthracen-9-yl)carbazole;3-(10-naphthalen-2-ylanthracen-9-yl)-9-phenylcarbazole

C146H97N3 — CID 159189718

IUPAC3-[10-(4a,8a-dihydronaphthalen-1-yl)anthracen-9-yl]-6-(10-naphthalen-1-ylanthracen-9-yl)-9-phenylcarbazole;9-ethyl-3-(10-naphthalen-2-ylanthracen-9-yl)carbazole;3-(10-naphthalen-2-ylanthracen-9-yl)-9-phenylcarbazole
SMILESC1=CC2C=CC=C(c3c4ccccc4c(-c4ccc5c(c4)c4cc(-c6c7ccccc7c(-c7cccc8ccccc78)c7ccccc67)ccc4n5-c4ccccc4)c4ccccc34)C2C=C1.CCn1c2ccccc2c2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)ccc21.c1ccc(-n2c3ccccc3c3cc(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5ccccc45)ccc32)cc1
InChIInChI=1S/C66H43N.C42H27N.C38H27N/c1-2-22-46(23-3-1)67-61-38-36-44(63-51-26-8-12-30-55(51)65(56-31-13-9-27-52(56)63)49-34-16-20-42-18-4-6-24-47(42)49)40-59(61)60-41-45(37-39-62(60)67)64-53-28-10-14-32-57(53)66(58-33-15-11-29-54(58)64)50-35-17-21-43-19-5-7-25-48(43)50;1-2-14-32(15-3-1)43-39-21-11-10-16-33(39)38-27-31(24-25-40(38)43)42-36-19-8-6-17-34(36)41(35-18-7-9-20-37(35)42)30-23-22-28-12-4-5-13-29(28)26-30;1-2-39-35-18-10-9-13-29(35)34-24-28(21-22-36(34)39)38-32-16-7-5-14-30(32)37(31-15-6-8-17-33(31)38)27-20-19-25-11-3-4-12-26(25)23-27/h1-42,47H;1-27H;3-24H,2H2,1H3
InChIKeyKNXWPQQOKNPZHB-UHFFFAOYSA-N
MW1893.40 g/mol
LogP40.05
Rot. Bonds11

About 3-[10-(4a,8a-dihydronaphthalen-1-yl)anthracen-9-yl]-6-(10-naphthalen-1-ylanthracen-9-yl)-9-phenylcarbazole;9-ethyl-3-(10-naphthalen-2-ylanthracen-9-yl)carbazole;3-(10-naphthalen-2-ylanthracen-9-yl)-9-phenylcarbazole

3-[10-(4a,8a-dihydronaphthalen-1-yl)anthracen-9-yl]-6-(10-naphthalen-1-ylanthracen-9-yl)-9-phenylcarbazole;9-ethyl-3-(10-naphthalen-2-ylanthracen-9-yl)carbazole;3-(10-naphthalen-2-ylanthracen-9-yl)-9-phenylcarbazole (PubChem CID 159189718) has the molecular formula C146H97N3 and a molecular weight of 1893.40 g/mol. Its IUPAC name is 3-[10-(4a,8a-dihydronaphthalen-1-yl)anthracen-9-yl]-6-(10-naphthalen-1-ylanthracen-9-yl)-9-phenylcarbazole;9-ethyl-3-(10-naphthalen-2-ylanthracen-9-yl)carbazole;3-(10-naphthalen-2-ylanthracen-9-yl)-9-phenylcarbazole.

Molecular Properties

Compound Name3-[10-(4a,8a-dihydronaphthalen-1-yl)anthracen-9-yl]-6-(10-naphthalen-1-ylanthracen-9-yl)-9-phenylcarbazole;9-ethyl-3-(10-naphthalen-2-ylanthracen-9-yl)carbazole;3-(10-naphthalen-2-ylanthracen-9-yl)-9-phenylcarbazole
PubChem CID159189718
Molecular FormulaC146H97N3
Molecular Weight1893.40 g/mol
Exact Mass1891.77
IUPAC Name3-[10-(4a,8a-dihydronaphthalen-1-yl)anthracen-9-yl]-6-(10-naphthalen-1-ylanthracen-9-yl)-9-phenylcarbazole;9-ethyl-3-(10-naphthalen-2-ylanthracen-9-yl)carbazole;3-(10-naphthalen-2-ylanthracen-9-yl)-9-phenylcarbazole
SMILESC1=CC2C=CC=C(c3c4ccccc4c(-c4ccc5c(c4)c4cc(-c6c7ccccc7c(-c7cccc8ccccc78)c7ccccc67)ccc4n5-c4ccccc4)c4ccccc34)C2C=C1.CCn1c2ccccc2c2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)ccc21.c1ccc(-n2c3ccccc3c3cc(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5ccccc45)ccc32)cc1
InChIInChI=1S/C66H43N.C42H27N.C38H27N/c1-2-22-46(23-3-1)67-61-38-36-44(63-51-26-8-12-30-55(51)65(56-31-13-9-27-52(56)63)49-34-16-20-42-18-4-6-24-47(42)49)40-59(61)60-41-45(37-39-62(60)67)64-53-28-10-14-32-57(53)66(58-33-15-11-29-54(58)64)50-35-17-21-43-19-5-7-25-48(43)50;1-2-14-32(15-3-1)43-39-21-11-10-16-33(39)38-27-31(24-25-40(38)43)42-36-19-8-6-17-34(36)41(35-18-7-9-20-37(35)42)30-23-22-28-12-4-5-13-29(28)26-30;1-2-39-35-18-10-9-13-29(35)34-24-28(21-22-36(34)39)38-32-16-7-5-14-30(32)37(31-15-6-8-17-33(31)38)27-20-19-25-11-3-4-12-26(25)23-27/h1-42,47H;1-27H;3-24H,2H2,1H3
InChIKeyKNXWPQQOKNPZHB-UHFFFAOYSA-N
XLogP40.05
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms149
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001893.40
LogP ≤ 540.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[10-(4a,8a-dihydronaphthalen-1-yl)anthracen-9-yl]-6-(10-naphthalen-1-ylanthracen-9-yl)-9-phenylcarbazole;9-ethyl-3-(10-naphthalen-2-ylanthracen-9-yl)carbazole;3-(10-naphthalen-2-ylanthracen-9-yl)-9-phenylcarbazole with MolForge

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Related Compounds

9-ethyl-3-(10-naphthalen-1-ylanthracen-9-yl)carbazole;3-(10-phenylanthracen-9-yl)-9-quinolin-3-ylcarbazole;9-phenyl-3,6-bis(10-phenylanthracen-9-yl)carbazole
CID 157185828
3-[10-anthracen-2-yl-8-(9-phenylcarbazol-3-yl)anthracen-1-yl]-9-phenylcarbazole
CID 155333639
3,6-dinaphthalen-1-yl-9-[4-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]phenyl]carbazole;3,6-dinaphthalen-2-yl-9-[4-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]phenyl]carbazole;9-[4-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]phenyl]-3,6-bis(2-phenylphenyl)carbazole
CID 161091193
3-[9,10-dinaphthalen-1-yl-6-(9-phenylcarbazol-3-yl)anthracen-2-yl]-9-phenylcarbazole;2-naphthalen-1-yl-6,9,10-triphenylanthracene;2,9,10-trinaphthalen-1-yl-6-phenylanthracene
CID 160576501
3-[9-(4-naphthalen-1-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158169511
9-(4-naphthalen-1-ylphenyl)-3-(4-naphthalen-2-ylphenyl)carbazole
CID 177074694
3-(10-naphthalen-2-yl-2-phenylanthracen-9-yl)-9-phenylcarbazole
CID 176777777
6-[9-(6-naphthalen-1-ylnaphthalen-2-yl)carbazol-3-yl]-2-[9-(6-naphthalen-2-ylnaphthalen-2-yl)-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]-9-phenylcarbazole
CID 137420566
2-naphthalen-2-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 121262529
3-naphthalen-1-yl-9-phenyl-6-[2-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 126764169
5-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-23-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaene
CID 147372966
9-[4-(10-anthracen-2-yl-3-naphthalen-1-ylanthracen-9-yl)phenyl]carbazole
CID 130377387

Frequently Asked Questions

What is the IUPAC name of 3-[10-(4a,8a-dihydronaphthalen-1-yl)anthracen-9-yl]-6-(10-naphthalen-1-ylanthracen-9-yl)-9-phenylcarbazole;9-ethyl-3-(10-naphthalen-2-ylanthracen-9-yl)carbazole;3-(10-naphthalen-2-ylanthracen-9-yl)-9-phenylcarbazole?
The IUPAC name of 3-[10-(4a,8a-dihydronaphthalen-1-yl)anthracen-9-yl]-6-(10-naphthalen-1-ylanthracen-9-yl)-9-phenylcarbazole;9-ethyl-3-(10-naphthalen-2-ylanthracen-9-yl)carbazole;3-(10-naphthalen-2-ylanthracen-9-yl)-9-phenylcarbazole (CID 159189718) is 3-[10-(4a,8a-dihydronaphthalen-1-yl)anthracen-9-yl]-6-(10-naphthalen-1-ylanthracen-9-yl)-9-phenylcarbazole;9-ethyl-3-(10-naphthalen-2-ylanthracen-9-yl)carbazole;3-(10-naphthalen-2-ylanthracen-9-yl)-9-phenylcarbazole.
What is the SMILES notation for 3-[10-(4a,8a-dihydronaphthalen-1-yl)anthracen-9-yl]-6-(10-naphthalen-1-ylanthracen-9-yl)-9-phenylcarbazole;9-ethyl-3-(10-naphthalen-2-ylanthracen-9-yl)carbazole;3-(10-naphthalen-2-ylanthracen-9-yl)-9-phenylcarbazole?
The canonical SMILES for 3-[10-(4a,8a-dihydronaphthalen-1-yl)anthracen-9-yl]-6-(10-naphthalen-1-ylanthracen-9-yl)-9-phenylcarbazole;9-ethyl-3-(10-naphthalen-2-ylanthracen-9-yl)carbazole;3-(10-naphthalen-2-ylanthracen-9-yl)-9-phenylcarbazole is C1=CC2C=CC=C(c3c4ccccc4c(-c4ccc5c(c4)c4cc(-c6c7ccccc7c(-c7cccc8ccccc78)c7ccccc67)ccc4n5-c4ccccc4)c4ccccc34)C2C=C1.CCn1c2ccccc2c2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)ccc21.c1ccc(-n2c3ccccc3c3cc(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5ccccc45)ccc32)cc1.
What is the InChIKey of 3-[10-(4a,8a-dihydronaphthalen-1-yl)anthracen-9-yl]-6-(10-naphthalen-1-ylanthracen-9-yl)-9-phenylcarbazole;9-ethyl-3-(10-naphthalen-2-ylanthracen-9-yl)carbazole;3-(10-naphthalen-2-ylanthracen-9-yl)-9-phenylcarbazole?
The InChIKey is KNXWPQQOKNPZHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H43N.C42H27N.C38H27N/c1-2-22-46(23-3-1)67-61-38-36-44(63-51-26-8-12-30-55(51)65(56-31-13-9-27-52(56)63)49-34-16-20-42-18-4-6-24-47(42)49)40-59(61)60-41-45(37-39-62(60)67)64-53-28-10-14-32-57(53)66(58-33-15-11-29-54(58)64)50-35-17-21-43-19-5-7-25-48(43)50;1-2-14-32(15-3-1)43-39-21-11-10-16-33(39)38-27-31(24-25-40(38)43)42-36-19-8-6-17-34(36)41(35-18-7-9-20-37(35)42)30-23-22-28-12-4-5-13-29(28)26-30;1-2-39-35-18-10-9-13-29(35)34-24-28(21-22-36(34)39)38-32-16-7-5-14-30(32)37(31-15-6-8-17-33(31)38)27-20-19-25-11-3-4-12-26(25)23-27/h1-42,47H;1-27H;3-24H,2H2,1H3.
What are the key properties of 3-[10-(4a,8a-dihydronaphthalen-1-yl)anthracen-9-yl]-6-(10-naphthalen-1-ylanthracen-9-yl)-9-phenylcarbazole;9-ethyl-3-(10-naphthalen-2-ylanthracen-9-yl)carbazole;3-(10-naphthalen-2-ylanthracen-9-yl)-9-phenylcarbazole?
3-[10-(4a,8a-dihydronaphthalen-1-yl)anthracen-9-yl]-6-(10-naphthalen-1-ylanthracen-9-yl)-9-phenylcarbazole;9-ethyl-3-(10-naphthalen-2-ylanthracen-9-yl)carbazole;3-(10-naphthalen-2-ylanthracen-9-yl)-9-phenylcarbazole has a molecular weight of 1893.40 g/mol, XLogP of 40.05, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[10-(4a,8a-dihydronaphthalen-1-yl)anthracen-9-yl]-6-(10-naphthalen-1-ylanthracen-9-yl)-9-phenylcarbazole;9-ethyl-3-(10-naphthalen-2-ylanthracen-9-yl)carbazole;3-(10-naphthalen-2-ylanthracen-9-yl)-9-phenylcarbazole is sourced from PubChem (CID 159189718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).