5-[4-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]phenyl]-1-N,1-N,3-N,3-N-tetranaphthalen-2-ylbenzene-1,3-diamine

C87H57N5 — CID 58050252

IUPAC5-[4-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]phenyl]-1-N,1-N,3-N,3-N-tetranaphthalen-2-ylbenzene-1,3-diamine
SMILESc1ccc2cc(N(c3cc(-c4ccc(-c5cncc(-c6cc(-n7c8ccccc8c8ccccc87)cc(-n7c8ccccc8c8ccccc87)c6)c5)cc4)cc(N(c4ccc5ccccc5c4)c4ccc5ccccc5c4)c3)c3ccc4ccccc4c3)ccc2c1
InChIInChI=1S/C87H57N5/c1-5-21-64-46-72(41-37-58(64)17-1)89(73-42-38-59-18-2-6-22-65(59)47-73)76-50-68(51-77(54-76)90(74-43-39-60-19-3-7-23-66(60)48-74)75-44-40-61-20-4-8-24-67(61)49-75)62-33-35-63(36-34-62)70-45-71(57-88-56-70)69-52-78(91-84-29-13-9-25-80(84)81-26-10-14-30-85(81)91)55-79(53-69)92-86-31-15-11-27-82(86)83-28-12-16-32-87(83)92/h1-57H
InChIKeyPMINJCIDCACASQ-UHFFFAOYSA-N
MW1172.45 g/mol
LogP23.83
Rot. Bonds11

About 5-[4-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]phenyl]-1-N,1-N,3-N,3-N-tetranaphthalen-2-ylbenzene-1,3-diamine

5-[4-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]phenyl]-1-N,1-N,3-N,3-N-tetranaphthalen-2-ylbenzene-1,3-diamine (PubChem CID 58050252) has the molecular formula C87H57N5 and a molecular weight of 1172.45 g/mol. Its IUPAC name is 5-[4-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]phenyl]-1-N,1-N,3-N,3-N-tetranaphthalen-2-ylbenzene-1,3-diamine.

Molecular Properties

Compound Name5-[4-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]phenyl]-1-N,1-N,3-N,3-N-tetranaphthalen-2-ylbenzene-1,3-diamine
PubChem CID58050252
Molecular FormulaC87H57N5
Molecular Weight1172.45 g/mol
Exact Mass1171.46
IUPAC Name5-[4-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]phenyl]-1-N,1-N,3-N,3-N-tetranaphthalen-2-ylbenzene-1,3-diamine
SMILESc1ccc2cc(N(c3cc(-c4ccc(-c5cncc(-c6cc(-n7c8ccccc8c8ccccc87)cc(-n7c8ccccc8c8ccccc87)c6)c5)cc4)cc(N(c4ccc5ccccc5c4)c4ccc5ccccc5c4)c3)c3ccc4ccccc4c3)ccc2c1
InChIInChI=1S/C87H57N5/c1-5-21-64-46-72(41-37-58(64)17-1)89(73-42-38-59-18-2-6-22-65(59)47-73)76-50-68(51-77(54-76)90(74-43-39-60-19-3-7-23-66(60)48-74)75-44-40-61-20-4-8-24-67(61)49-75)62-33-35-63(36-34-62)70-45-71(57-88-56-70)69-52-78(91-84-29-13-9-25-80(84)81-26-10-14-30-85(81)91)55-79(53-69)92-86-31-15-11-27-82(86)83-28-12-16-32-87(83)92/h1-57H
InChIKeyPMINJCIDCACASQ-UHFFFAOYSA-N
XLogP23.83
TPSA29.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms92
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001172.45
LogP ≤ 523.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[4-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]phenyl]-1-N,1-N,3-N,3-N-tetranaphthalen-2-ylbenzene-1,3-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]phenyl]-1-N,1-N,3-N,3-N-tetranaphthalen-2-ylbenzene-1,3-diamine?
The IUPAC name of 5-[4-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]phenyl]-1-N,1-N,3-N,3-N-tetranaphthalen-2-ylbenzene-1,3-diamine (CID 58050252) is 5-[4-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]phenyl]-1-N,1-N,3-N,3-N-tetranaphthalen-2-ylbenzene-1,3-diamine.
What is the SMILES notation for 5-[4-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]phenyl]-1-N,1-N,3-N,3-N-tetranaphthalen-2-ylbenzene-1,3-diamine?
The canonical SMILES for 5-[4-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]phenyl]-1-N,1-N,3-N,3-N-tetranaphthalen-2-ylbenzene-1,3-diamine is c1ccc2cc(N(c3cc(-c4ccc(-c5cncc(-c6cc(-n7c8ccccc8c8ccccc87)cc(-n7c8ccccc8c8ccccc87)c6)c5)cc4)cc(N(c4ccc5ccccc5c4)c4ccc5ccccc5c4)c3)c3ccc4ccccc4c3)ccc2c1.
What is the InChIKey of 5-[4-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]phenyl]-1-N,1-N,3-N,3-N-tetranaphthalen-2-ylbenzene-1,3-diamine?
The InChIKey is PMINJCIDCACASQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C87H57N5/c1-5-21-64-46-72(41-37-58(64)17-1)89(73-42-38-59-18-2-6-22-65(59)47-73)76-50-68(51-77(54-76)90(74-43-39-60-19-3-7-23-66(60)48-74)75-44-40-61-20-4-8-24-67(61)49-75)62-33-35-63(36-34-62)70-45-71(57-88-56-70)69-52-78(91-84-29-13-9-25-80(84)81-26-10-14-30-85(81)91)55-79(53-69)92-86-31-15-11-27-82(86)83-28-12-16-32-87(83)92/h1-57H.
What are the key properties of 5-[4-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]phenyl]-1-N,1-N,3-N,3-N-tetranaphthalen-2-ylbenzene-1,3-diamine?
5-[4-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]phenyl]-1-N,1-N,3-N,3-N-tetranaphthalen-2-ylbenzene-1,3-diamine has a molecular weight of 1172.45 g/mol, XLogP of 23.83, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]phenyl]-1-N,1-N,3-N,3-N-tetranaphthalen-2-ylbenzene-1,3-diamine is sourced from PubChem (CID 58050252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).