9-[4-[2-[4-[2-[4-[4-(3,6-difluorocarbazol-9-yl)phenyl]-6-phenyl-2-pyridinyl]-4-pyridinyl]-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]phenyl]-3,6-difluorocarbazole

C67H39F4N7 — CID 138593188

IUPAC9-[4-[2-[4-[2-[4-[4-(3,6-difluorocarbazol-9-yl)phenyl]-6-phenyl-2-pyridinyl]-4-pyridinyl]-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]phenyl]-3,6-difluorocarbazole
SMILESFc1ccc2c(c1)c1cc(F)ccc1n2-c1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-c4ccnc(-c5cc(-c6ccc(-n7c8ccc(F)cc8c8cc(F)ccc87)cc6)cc(-c6ccccn6)n5)c4)ccn3)c2)cc1
InChIInChI=1S/C67H39F4N7/c68-47-13-21-64-53(36-47)54-37-48(69)14-22-65(54)77(64)51-17-9-40(10-18-51)45-32-58(42-6-2-1-3-7-42)75-62(34-45)59-30-43(25-28-73-59)44-26-29-74-60(31-44)63-35-46(33-61(76-63)57-8-4-5-27-72-57)41-11-19-52(20-12-41)78-66-23-15-49(70)38-55(66)56-39-50(71)16-24-67(56)78/h1-39H
InChIKeyBYAPJMFKJAYHDY-UHFFFAOYSA-N
MW1018.09 g/mol
LogP17.08
Rot. Bonds9

About 9-[4-[2-[4-[2-[4-[4-(3,6-difluorocarbazol-9-yl)phenyl]-6-phenyl-2-pyridinyl]-4-pyridinyl]-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]phenyl]-3,6-difluorocarbazole

9-[4-[2-[4-[2-[4-[4-(3,6-difluorocarbazol-9-yl)phenyl]-6-phenyl-2-pyridinyl]-4-pyridinyl]-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]phenyl]-3,6-difluorocarbazole (PubChem CID 138593188) has the molecular formula C67H39F4N7 and a molecular weight of 1018.09 g/mol. Its IUPAC name is 9-[4-[2-[4-[2-[4-[4-(3,6-difluorocarbazol-9-yl)phenyl]-6-phenyl-2-pyridinyl]-4-pyridinyl]-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]phenyl]-3,6-difluorocarbazole.

Molecular Properties

Compound Name9-[4-[2-[4-[2-[4-[4-(3,6-difluorocarbazol-9-yl)phenyl]-6-phenyl-2-pyridinyl]-4-pyridinyl]-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]phenyl]-3,6-difluorocarbazole
PubChem CID138593188
Molecular FormulaC67H39F4N7
Molecular Weight1018.09 g/mol
Exact Mass1017.32
IUPAC Name9-[4-[2-[4-[2-[4-[4-(3,6-difluorocarbazol-9-yl)phenyl]-6-phenyl-2-pyridinyl]-4-pyridinyl]-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]phenyl]-3,6-difluorocarbazole
SMILESFc1ccc2c(c1)c1cc(F)ccc1n2-c1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-c4ccnc(-c5cc(-c6ccc(-n7c8ccc(F)cc8c8cc(F)ccc87)cc6)cc(-c6ccccn6)n5)c4)ccn3)c2)cc1
InChIInChI=1S/C67H39F4N7/c68-47-13-21-64-53(36-47)54-37-48(69)14-22-65(54)77(64)51-17-9-40(10-18-51)45-32-58(42-6-2-1-3-7-42)75-62(34-45)59-30-43(25-28-73-59)44-26-29-74-60(31-44)63-35-46(33-61(76-63)57-8-4-5-27-72-57)41-11-19-52(20-12-41)78-66-23-15-49(70)38-55(66)56-39-50(71)16-24-67(56)78/h1-39H
InChIKeyBYAPJMFKJAYHDY-UHFFFAOYSA-N
XLogP17.08
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001018.09
LogP ≤ 517.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 9-[4-[2-[4-[2-[4-[4-(3,6-difluorocarbazol-9-yl)phenyl]-6-phenyl-2-pyridinyl]-4-pyridinyl]-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]phenyl]-3,6-difluorocarbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-[4-[2-[4-[2-[4-[4-(3,6-difluorocarbazol-9-yl)phenyl]-6-phenyl-2-pyridinyl]-4-pyridinyl]-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]phenyl]-3,6-difluorocarbazole?
The IUPAC name of 9-[4-[2-[4-[2-[4-[4-(3,6-difluorocarbazol-9-yl)phenyl]-6-phenyl-2-pyridinyl]-4-pyridinyl]-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]phenyl]-3,6-difluorocarbazole (CID 138593188) is 9-[4-[2-[4-[2-[4-[4-(3,6-difluorocarbazol-9-yl)phenyl]-6-phenyl-2-pyridinyl]-4-pyridinyl]-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]phenyl]-3,6-difluorocarbazole.
What is the SMILES notation for 9-[4-[2-[4-[2-[4-[4-(3,6-difluorocarbazol-9-yl)phenyl]-6-phenyl-2-pyridinyl]-4-pyridinyl]-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]phenyl]-3,6-difluorocarbazole?
The canonical SMILES for 9-[4-[2-[4-[2-[4-[4-(3,6-difluorocarbazol-9-yl)phenyl]-6-phenyl-2-pyridinyl]-4-pyridinyl]-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]phenyl]-3,6-difluorocarbazole is Fc1ccc2c(c1)c1cc(F)ccc1n2-c1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-c4ccnc(-c5cc(-c6ccc(-n7c8ccc(F)cc8c8cc(F)ccc87)cc6)cc(-c6ccccn6)n5)c4)ccn3)c2)cc1.
What is the InChIKey of 9-[4-[2-[4-[2-[4-[4-(3,6-difluorocarbazol-9-yl)phenyl]-6-phenyl-2-pyridinyl]-4-pyridinyl]-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]phenyl]-3,6-difluorocarbazole?
The InChIKey is BYAPJMFKJAYHDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H39F4N7/c68-47-13-21-64-53(36-47)54-37-48(69)14-22-65(54)77(64)51-17-9-40(10-18-51)45-32-58(42-6-2-1-3-7-42)75-62(34-45)59-30-43(25-28-73-59)44-26-29-74-60(31-44)63-35-46(33-61(76-63)57-8-4-5-27-72-57)41-11-19-52(20-12-41)78-66-23-15-49(70)38-55(66)56-39-50(71)16-24-67(56)78/h1-39H.
What are the key properties of 9-[4-[2-[4-[2-[4-[4-(3,6-difluorocarbazol-9-yl)phenyl]-6-phenyl-2-pyridinyl]-4-pyridinyl]-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]phenyl]-3,6-difluorocarbazole?
9-[4-[2-[4-[2-[4-[4-(3,6-difluorocarbazol-9-yl)phenyl]-6-phenyl-2-pyridinyl]-4-pyridinyl]-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]phenyl]-3,6-difluorocarbazole has a molecular weight of 1018.09 g/mol, XLogP of 17.08, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[2-[4-[2-[4-[4-(3,6-difluorocarbazol-9-yl)phenyl]-6-phenyl-2-pyridinyl]-4-pyridinyl]-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]phenyl]-3,6-difluorocarbazole is sourced from PubChem (CID 138593188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).