5-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-11-phenylbenzo[a]carbazole

C56H35N — CID 129092035

IUPAC5-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-11-phenylbenzo[a]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5c6ccccc6c(-c6cccc7ccccc67)c6ccccc56)c5ccccc45)c4ccccc4c32)cc1
InChIInChI=1S/C56H35N/c1-2-19-37(20-3-1)57-53-32-15-14-25-43(53)52-35-51(41-24-8-13-30-50(41)56(52)57)42-33-34-49(40-23-7-6-22-39(40)42)55-47-28-11-9-26-45(47)54(46-27-10-12-29-48(46)55)44-31-16-18-36-17-4-5-21-38(36)44/h1-35H
InChIKeyMDHCQEGSHIMGPD-UHFFFAOYSA-N
MW721.90 g/mol
LogP15.55
Rot. Bonds4

About 5-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-11-phenylbenzo[a]carbazole

5-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-11-phenylbenzo[a]carbazole (PubChem CID 129092035) has the molecular formula C56H35N and a molecular weight of 721.90 g/mol. Its IUPAC name is 5-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-11-phenylbenzo[a]carbazole.

Molecular Properties

Compound Name5-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-11-phenylbenzo[a]carbazole
PubChem CID129092035
Molecular FormulaC56H35N
Molecular Weight721.90 g/mol
Exact Mass721.28
IUPAC Name5-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-11-phenylbenzo[a]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5c6ccccc6c(-c6cccc7ccccc67)c6ccccc56)c5ccccc45)c4ccccc4c32)cc1
InChIInChI=1S/C56H35N/c1-2-19-37(20-3-1)57-53-32-15-14-25-43(53)52-35-51(41-24-8-13-30-50(41)56(52)57)42-33-34-49(40-23-7-6-22-39(40)42)55-47-28-11-9-26-45(47)54(46-27-10-12-29-48(46)55)44-31-16-18-36-17-4-5-21-38(36)44/h1-35H
InChIKeyMDHCQEGSHIMGPD-UHFFFAOYSA-N
XLogP15.55
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500721.90
LogP ≤ 515.55
H-Bond Donors ≤ 50
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-(10-naphthalen-1-ylanthracen-9-yl)-9-phenylcarbazole
CID 167187306
5-(9,10-diphenylanthracen-2-yl)-11-phenylbenzo[a]carbazole;5-[4-(3,10-diphenylanthracen-9-yl)phenyl]-11-phenylbenzo[a]carbazole;5-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-11-phenylbenzo[a]carbazole
CID 158978981
1-[4,5-bis(9-phenylcarbazol-1-yl)anthracen-9-yl]-9-phenylcarbazole
CID 155335011
17-phenyl-8-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene
CID 122524604
9-phenyl-1-[8-(9-phenylcarbazol-1-yl)-10-(4-phenylnaphthalen-2-yl)anthracen-1-yl]carbazole
CID 155333072
1-[10-(4,5-dinaphthalen-1-ylanthracen-9-yl)-8-(9-phenylcarbazol-1-yl)anthracen-1-yl]-9-phenylcarbazole;2-[10-(4,5-dinaphthalen-1-ylanthracen-9-yl)-8-(9-phenylcarbazol-2-yl)anthracen-1-yl]-9-phenylcarbazole;3-[10-(4,5-dinaphthalen-1-ylanthracen-9-yl)-8-(9-phenylcarbazol-3-yl)anthracen-1-yl]-9-phenylcarbazole
CID 160793440
21-naphthalen-1-yl-27-phenyl-27-azaheptacyclo[12.11.1.16,9.02,7.08,13.015,20.022,26]heptacosa-1(25),2(7),3,5,8(13),9,11,14(26),15,17,19,21,23-tridecaene
CID 170226043
10-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole
CID 129254628
9-[9-[4-(2-fluoranthen-3-ylphenyl)phenyl]carbazol-2-yl]-11-phenylbenzo[a]carbazole
CID 130304406
7-(10-naphthalen-1-ylanthracen-9-yl)-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 166873057
9-naphthalen-1-yl-10-[4-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]naphthalen-1-yl]anthracene
CID 59861499
11-[4,6-bis(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-b]carbazole
CID 166512002

Frequently Asked Questions

What is the IUPAC name of 5-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-11-phenylbenzo[a]carbazole?
The IUPAC name of 5-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-11-phenylbenzo[a]carbazole (CID 129092035) is 5-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-11-phenylbenzo[a]carbazole.
What is the SMILES notation for 5-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-11-phenylbenzo[a]carbazole?
The canonical SMILES for 5-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-11-phenylbenzo[a]carbazole is c1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5c6ccccc6c(-c6cccc7ccccc67)c6ccccc56)c5ccccc45)c4ccccc4c32)cc1.
What is the InChIKey of 5-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-11-phenylbenzo[a]carbazole?
The InChIKey is MDHCQEGSHIMGPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H35N/c1-2-19-37(20-3-1)57-53-32-15-14-25-43(53)52-35-51(41-24-8-13-30-50(41)56(52)57)42-33-34-49(40-23-7-6-22-39(40)42)55-47-28-11-9-26-45(47)54(46-27-10-12-29-48(46)55)44-31-16-18-36-17-4-5-21-38(36)44/h1-35H.
What are the key properties of 5-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-11-phenylbenzo[a]carbazole?
5-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-11-phenylbenzo[a]carbazole has a molecular weight of 721.90 g/mol, XLogP of 15.55, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-11-phenylbenzo[a]carbazole is sourced from PubChem (CID 129092035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).