6-[2-[5-(9,10-dinaphthalen-1-ylanthracen-2-yl)-2-naphthalen-1-yl-4-pyridinyl]phenyl]-9-phenylpyrido[2,3-b]indole

C72H45N3 — CID 88886686

IUPAC6-[2-[5-(9,10-dinaphthalen-1-ylanthracen-2-yl)-2-naphthalen-1-yl-4-pyridinyl]phenyl]-9-phenylpyrido[2,3-b]indole
SMILESc1ccc(-n2c3ccc(-c4ccccc4-c4cc(-c5cccc6ccccc56)ncc4-c4ccc5c(-c6cccc7ccccc67)c6ccccc6c(-c6cccc7ccccc67)c5c4)cc3c3cccnc32)cc1
InChIInChI=1S/C72H45N3/c1-2-24-51(25-3-1)75-69-40-38-49(42-65(69)63-36-17-41-73-72(63)75)55-29-10-11-30-56(55)64-44-68(57-33-14-21-46-18-4-7-26-52(46)57)74-45-67(64)50-37-39-62-66(43-50)71(59-35-16-23-48-20-6-9-28-54(48)59)61-32-13-12-31-60(61)70(62)58-34-15-22-47-19-5-8-27-53(47)58/h1-45H
InChIKeyBKCIZNDSGNEKSP-UHFFFAOYSA-N
MW952.17 g/mol
LogP19.34
Rot. Bonds7

About 6-[2-[5-(9,10-dinaphthalen-1-ylanthracen-2-yl)-2-naphthalen-1-yl-4-pyridinyl]phenyl]-9-phenylpyrido[2,3-b]indole

6-[2-[5-(9,10-dinaphthalen-1-ylanthracen-2-yl)-2-naphthalen-1-yl-4-pyridinyl]phenyl]-9-phenylpyrido[2,3-b]indole (PubChem CID 88886686) has the molecular formula C72H45N3 and a molecular weight of 952.17 g/mol. Its IUPAC name is 6-[2-[5-(9,10-dinaphthalen-1-ylanthracen-2-yl)-2-naphthalen-1-yl-4-pyridinyl]phenyl]-9-phenylpyrido[2,3-b]indole.

Molecular Properties

Compound Name6-[2-[5-(9,10-dinaphthalen-1-ylanthracen-2-yl)-2-naphthalen-1-yl-4-pyridinyl]phenyl]-9-phenylpyrido[2,3-b]indole
PubChem CID88886686
Molecular FormulaC72H45N3
Molecular Weight952.17 g/mol
Exact Mass951.36
IUPAC Name6-[2-[5-(9,10-dinaphthalen-1-ylanthracen-2-yl)-2-naphthalen-1-yl-4-pyridinyl]phenyl]-9-phenylpyrido[2,3-b]indole
SMILESc1ccc(-n2c3ccc(-c4ccccc4-c4cc(-c5cccc6ccccc56)ncc4-c4ccc5c(-c6cccc7ccccc67)c6ccccc6c(-c6cccc7ccccc67)c5c4)cc3c3cccnc32)cc1
InChIInChI=1S/C72H45N3/c1-2-24-51(25-3-1)75-69-40-38-49(42-65(69)63-36-17-41-73-72(63)75)55-29-10-11-30-56(55)64-44-68(57-33-14-21-46-18-4-7-26-52(46)57)74-45-67(64)50-37-39-62-66(43-50)71(59-35-16-23-48-20-6-9-28-54(48)59)61-32-13-12-31-60(61)70(62)58-34-15-22-47-19-5-8-27-53(47)58/h1-45H
InChIKeyBKCIZNDSGNEKSP-UHFFFAOYSA-N
XLogP19.34
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500952.17
LogP ≤ 519.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-[2-[5-(9,10-dinaphthalen-1-ylanthracen-2-yl)-2-naphthalen-1-yl-4-pyridinyl]phenyl]-9-phenylpyrido[2,3-b]indole with MolForge

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Related Compounds

6-(5-naphthalen-1-yl-2-pyridinyl)-9-phenylpyrido[2,3-b]indole
CID 118403794
6-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-9-phenyl-3-pyridin-2-ylpyrido[3,4-b]indole
CID 88886703
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
6-[2-[2-(10-cyclohexa-2,4-dien-1-yl-9-phenylanthracen-2-yl)phenyl]phenyl]-9-phenylpyrido[2,3-b]indole
CID 137467005
9-phenyl-6-(5-pyridin-2-yl-2-pyridinyl)pyrido[2,3-b]indole
CID 118403810
6-[9-(2,6-diphenyl-4-pyridinyl)carbazol-4-yl]-9-phenylpyrido[2,3-b]indole
CID 129221841
3-isocyano-6-(3-naphthalen-1-yl-10-pyridin-2-ylanthracen-9-yl)-9-phenylcarbazole
CID 123209829
2-[4-(9-phenylpyrido[2,3-b]indol-6-yl)phenyl]-1,10-phenanthroline
CID 118403847
3-naphthalen-1-yl-9-phenyl-6-[2-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 126764169
8-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylpyrido[2,3-b]indole
CID 118587088
9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-(9-phenylcarbazol-1-yl)pyrido[2,3-b]indole
CID 118587653
9-(3-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-2-yl]pyrido[2,3-b]indole;9-(4-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-2-yl]pyrido[2,3-b]indole;9-(4-phenylphenyl)-6-[9-(4-phenylphenyl)carbazol-2-yl]pyrido[2,3-b]indole
CID 159710225

Frequently Asked Questions

What is the IUPAC name of 6-[2-[5-(9,10-dinaphthalen-1-ylanthracen-2-yl)-2-naphthalen-1-yl-4-pyridinyl]phenyl]-9-phenylpyrido[2,3-b]indole?
The IUPAC name of 6-[2-[5-(9,10-dinaphthalen-1-ylanthracen-2-yl)-2-naphthalen-1-yl-4-pyridinyl]phenyl]-9-phenylpyrido[2,3-b]indole (CID 88886686) is 6-[2-[5-(9,10-dinaphthalen-1-ylanthracen-2-yl)-2-naphthalen-1-yl-4-pyridinyl]phenyl]-9-phenylpyrido[2,3-b]indole.
What is the SMILES notation for 6-[2-[5-(9,10-dinaphthalen-1-ylanthracen-2-yl)-2-naphthalen-1-yl-4-pyridinyl]phenyl]-9-phenylpyrido[2,3-b]indole?
The canonical SMILES for 6-[2-[5-(9,10-dinaphthalen-1-ylanthracen-2-yl)-2-naphthalen-1-yl-4-pyridinyl]phenyl]-9-phenylpyrido[2,3-b]indole is c1ccc(-n2c3ccc(-c4ccccc4-c4cc(-c5cccc6ccccc56)ncc4-c4ccc5c(-c6cccc7ccccc67)c6ccccc6c(-c6cccc7ccccc67)c5c4)cc3c3cccnc32)cc1.
What is the InChIKey of 6-[2-[5-(9,10-dinaphthalen-1-ylanthracen-2-yl)-2-naphthalen-1-yl-4-pyridinyl]phenyl]-9-phenylpyrido[2,3-b]indole?
The InChIKey is BKCIZNDSGNEKSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H45N3/c1-2-24-51(25-3-1)75-69-40-38-49(42-65(69)63-36-17-41-73-72(63)75)55-29-10-11-30-56(55)64-44-68(57-33-14-21-46-18-4-7-26-52(46)57)74-45-67(64)50-37-39-62-66(43-50)71(59-35-16-23-48-20-6-9-28-54(48)59)61-32-13-12-31-60(61)70(62)58-34-15-22-47-19-5-8-27-53(47)58/h1-45H.
What are the key properties of 6-[2-[5-(9,10-dinaphthalen-1-ylanthracen-2-yl)-2-naphthalen-1-yl-4-pyridinyl]phenyl]-9-phenylpyrido[2,3-b]indole?
6-[2-[5-(9,10-dinaphthalen-1-ylanthracen-2-yl)-2-naphthalen-1-yl-4-pyridinyl]phenyl]-9-phenylpyrido[2,3-b]indole has a molecular weight of 952.17 g/mol, XLogP of 19.34, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[5-(9,10-dinaphthalen-1-ylanthracen-2-yl)-2-naphthalen-1-yl-4-pyridinyl]phenyl]-9-phenylpyrido[2,3-b]indole is sourced from PubChem (CID 88886686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).