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

C87H57N5 — CID 58050258

IUPAC5-[5-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-3-pyridinyl]-1-N,1-N,3-N,3-N-tetranaphthalen-2-ylbenzene-1,3-diamine
SMILESc1ccc2cc(N(c3cc(-c4cncc(-c5ccc(-c6cc(-n7c8ccccc8c8ccccc87)cc(-n7c8ccccc8c8ccccc87)c6)cc5)c4)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)76-52-69(53-77(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)71-45-70(56-88-57-71)63-35-33-62(34-36-63)68-50-78(91-84-29-13-9-25-80(84)81-26-10-14-30-85(81)91)55-79(51-68)92-86-31-15-11-27-82(86)83-28-12-16-32-87(83)92/h1-57H
InChIKeyXRYUKSPKCKMADB-UHFFFAOYSA-N
MW1172.45 g/mol
LogP23.83
Rot. Bonds11

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

5-[5-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-3-pyridinyl]-1-N,1-N,3-N,3-N-tetranaphthalen-2-ylbenzene-1,3-diamine (PubChem CID 58050258) has the molecular formula C87H57N5 and a molecular weight of 1172.45 g/mol. Its IUPAC name is 5-[5-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-3-pyridinyl]-1-N,1-N,3-N,3-N-tetranaphthalen-2-ylbenzene-1,3-diamine.

Molecular Properties

Compound Name5-[5-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-3-pyridinyl]-1-N,1-N,3-N,3-N-tetranaphthalen-2-ylbenzene-1,3-diamine
PubChem CID58050258
Molecular FormulaC87H57N5
Molecular Weight1172.45 g/mol
Exact Mass1171.46
IUPAC Name5-[5-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-3-pyridinyl]-1-N,1-N,3-N,3-N-tetranaphthalen-2-ylbenzene-1,3-diamine
SMILESc1ccc2cc(N(c3cc(-c4cncc(-c5ccc(-c6cc(-n7c8ccccc8c8ccccc87)cc(-n7c8ccccc8c8ccccc87)c6)cc5)c4)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)76-52-69(53-77(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)71-45-70(56-88-57-71)63-35-33-62(34-36-63)68-50-78(91-84-29-13-9-25-80(84)81-26-10-14-30-85(81)91)55-79(51-68)92-86-31-15-11-27-82(86)83-28-12-16-32-87(83)92/h1-57H
InChIKeyXRYUKSPKCKMADB-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-[5-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-3-pyridinyl]-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-[5-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-3-pyridinyl]-1-N,1-N,3-N,3-N-tetranaphthalen-2-ylbenzene-1,3-diamine?
The IUPAC name of 5-[5-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-3-pyridinyl]-1-N,1-N,3-N,3-N-tetranaphthalen-2-ylbenzene-1,3-diamine (CID 58050258) is 5-[5-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-3-pyridinyl]-1-N,1-N,3-N,3-N-tetranaphthalen-2-ylbenzene-1,3-diamine.
What is the SMILES notation for 5-[5-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-3-pyridinyl]-1-N,1-N,3-N,3-N-tetranaphthalen-2-ylbenzene-1,3-diamine?
The canonical SMILES for 5-[5-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-3-pyridinyl]-1-N,1-N,3-N,3-N-tetranaphthalen-2-ylbenzene-1,3-diamine is c1ccc2cc(N(c3cc(-c4cncc(-c5ccc(-c6cc(-n7c8ccccc8c8ccccc87)cc(-n7c8ccccc8c8ccccc87)c6)cc5)c4)cc(N(c4ccc5ccccc5c4)c4ccc5ccccc5c4)c3)c3ccc4ccccc4c3)ccc2c1.
What is the InChIKey of 5-[5-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-3-pyridinyl]-1-N,1-N,3-N,3-N-tetranaphthalen-2-ylbenzene-1,3-diamine?
The InChIKey is XRYUKSPKCKMADB-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)76-52-69(53-77(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)71-45-70(56-88-57-71)63-35-33-62(34-36-63)68-50-78(91-84-29-13-9-25-80(84)81-26-10-14-30-85(81)91)55-79(51-68)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-[5-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-3-pyridinyl]-1-N,1-N,3-N,3-N-tetranaphthalen-2-ylbenzene-1,3-diamine?
5-[5-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-3-pyridinyl]-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-[5-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-3-pyridinyl]-1-N,1-N,3-N,3-N-tetranaphthalen-2-ylbenzene-1,3-diamine is sourced from PubChem (CID 58050258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).