7-[4-(3-carbazol-9-ylcarbazol-9-yl)naphthalen-1-yl]benzo[b][1,10]phenanthroline

C50H30N4 — CID 139445957

IUPAC7-[4-(3-carbazol-9-ylcarbazol-9-yl)naphthalen-1-yl]benzo[b][1,10]phenanthroline
SMILESc1cnc2c(c1)ccc1c(-c3ccc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)c4ccccc34)c3ccccc3nc12
InChIInChI=1S/C50H30N4/c1-2-14-34-33(13-1)38(48-39-18-3-7-19-42(39)52-50-40(48)25-23-31-12-11-29-51-49(31)50)26-28-46(34)54-45-22-10-6-17-37(45)41-30-32(24-27-47(41)54)53-43-20-8-4-15-35(43)36-16-5-9-21-44(36)53/h1-30H
InChIKeyRCHVUDFLQSKHFO-UHFFFAOYSA-N
MW686.82 g/mol
LogP12.95
Rot. Bonds3

About 7-[4-(3-carbazol-9-ylcarbazol-9-yl)naphthalen-1-yl]benzo[b][1,10]phenanthroline

7-[4-(3-carbazol-9-ylcarbazol-9-yl)naphthalen-1-yl]benzo[b][1,10]phenanthroline (PubChem CID 139445957) has the molecular formula C50H30N4 and a molecular weight of 686.82 g/mol. Its IUPAC name is 7-[4-(3-carbazol-9-ylcarbazol-9-yl)naphthalen-1-yl]benzo[b][1,10]phenanthroline.

Molecular Properties

Compound Name7-[4-(3-carbazol-9-ylcarbazol-9-yl)naphthalen-1-yl]benzo[b][1,10]phenanthroline
PubChem CID139445957
Molecular FormulaC50H30N4
Molecular Weight686.82 g/mol
Exact Mass686.25
IUPAC Name7-[4-(3-carbazol-9-ylcarbazol-9-yl)naphthalen-1-yl]benzo[b][1,10]phenanthroline
SMILESc1cnc2c(c1)ccc1c(-c3ccc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)c4ccccc34)c3ccccc3nc12
InChIInChI=1S/C50H30N4/c1-2-14-34-33(13-1)38(48-39-18-3-7-19-42(39)52-50-40(48)25-23-31-12-11-29-51-49(31)50)26-28-46(34)54-45-22-10-6-17-37(45)41-30-32(24-27-47(41)54)53-43-20-8-4-15-35(43)36-16-5-9-21-44(36)53/h1-30H
InChIKeyRCHVUDFLQSKHFO-UHFFFAOYSA-N
XLogP12.95
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500686.82
LogP ≤ 512.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

7-[10-(9-phenylcarbazol-3-yl)anthracen-9-yl]benzo[b][1,10]phenanthroline;7-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]benzo[b][1,10]phenanthroline;7-[6-(9-phenylcarbazol-3-yl)naphthalen-2-yl]benzo[b][1,10]phenanthroline
CID 160969507
7-[4-(9-phenylcarbazol-3-yl)phenyl]benzo[b][1,10]phenanthroline
CID 134559213
7-[4-(3-carbazol-9-ylphenyl)phenyl]benzo[b][1,10]phenanthroline
CID 134559444
7-[5-(1,10-phenanthrolin-5-yl)quinolin-8-yl]benzo[b][1,10]phenanthroline
CID 139446085
7-(10-benzo[b][1,10]phenanthrolin-7-ylanthracen-9-yl)benzo[b][1,10]phenanthroline
CID 134559539
5,11-bis(benzo[h]quinolin-8-yl)indolo[3,2-b]carbazole
CID 118487867
8-[3-(9-benzo[h]quinolin-8-ylcarbazol-3-yl)carbazol-9-yl]benzo[h]quinoline
CID 118487708
7-triphenylen-2-ylbenzo[b][1,10]phenanthroline
CID 139446092
7-[4-[3-[3-[2-(6-benzo[b][1,10]phenanthrolin-7-ylnaphthalen-2-yl)-5-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-9-yl]-5-carbazol-9-ylphenyl]phenyl]benzo[b][1,10]phenanthroline
CID 164978520
3-[9-(4-phenylphenyl)carbazol-3-yl]-9-quinolin-8-ylcarbazole
CID 164797310
9-[3-(9-benzo[h]quinolin-9-ylcarbazol-3-yl)carbazol-9-yl]-7-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[h]quinoline
CID 118490628
7-[5-(1,10-phenanthrolin-2-yl)quinolin-8-yl]benzo[b][1,10]phenanthroline
CID 139445698

Frequently Asked Questions

What is the IUPAC name of 7-[4-(3-carbazol-9-ylcarbazol-9-yl)naphthalen-1-yl]benzo[b][1,10]phenanthroline?
The IUPAC name of 7-[4-(3-carbazol-9-ylcarbazol-9-yl)naphthalen-1-yl]benzo[b][1,10]phenanthroline (CID 139445957) is 7-[4-(3-carbazol-9-ylcarbazol-9-yl)naphthalen-1-yl]benzo[b][1,10]phenanthroline.
What is the SMILES notation for 7-[4-(3-carbazol-9-ylcarbazol-9-yl)naphthalen-1-yl]benzo[b][1,10]phenanthroline?
The canonical SMILES for 7-[4-(3-carbazol-9-ylcarbazol-9-yl)naphthalen-1-yl]benzo[b][1,10]phenanthroline is c1cnc2c(c1)ccc1c(-c3ccc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)c4ccccc34)c3ccccc3nc12.
What is the InChIKey of 7-[4-(3-carbazol-9-ylcarbazol-9-yl)naphthalen-1-yl]benzo[b][1,10]phenanthroline?
The InChIKey is RCHVUDFLQSKHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30N4/c1-2-14-34-33(13-1)38(48-39-18-3-7-19-42(39)52-50-40(48)25-23-31-12-11-29-51-49(31)50)26-28-46(34)54-45-22-10-6-17-37(45)41-30-32(24-27-47(41)54)53-43-20-8-4-15-35(43)36-16-5-9-21-44(36)53/h1-30H.
What are the key properties of 7-[4-(3-carbazol-9-ylcarbazol-9-yl)naphthalen-1-yl]benzo[b][1,10]phenanthroline?
7-[4-(3-carbazol-9-ylcarbazol-9-yl)naphthalen-1-yl]benzo[b][1,10]phenanthroline has a molecular weight of 686.82 g/mol, XLogP of 12.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(3-carbazol-9-ylcarbazol-9-yl)naphthalen-1-yl]benzo[b][1,10]phenanthroline is sourced from PubChem (CID 139445957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).