3-[6-[3-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]phenanthridin-3-yl]-12-[3,5-bis(3-methyl-2-pyridinyl)phenyl]-[1]benzofuro[2,3-a]carbazole

C73H45N5O2 — CID 154952201

IUPAC3-[6-[3-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]phenanthridin-3-yl]-12-[3,5-bis(3-methyl-2-pyridinyl)phenyl]-[1]benzofuro[2,3-a]carbazole
SMILESCc1cccnc1-c1cc(-c2ncccc2C)cc(-n2c3ccc(-c4ccc5c(c4)nc(-c4cccc(-n6c7ccccc7c7ccc8oc9ccccc9c8c76)c4)c4ccccc45)cc3c3ccc4c5ccccc5oc4c32)c1
InChIInChI=1S/C73H45N5O2/c1-42-14-12-34-74-68(42)47-36-48(69-43(2)15-13-35-75-69)39-50(38-47)78-63-32-27-44(40-60(63)57-29-30-58-54-20-6-9-24-64(54)80-73(58)72(57)78)45-26-28-52-51-18-3-4-21-55(51)70(76-61(52)41-45)46-16-11-17-49(37-46)77-62-23-8-5-19-53(62)56-31-33-66-67(71(56)77)59-22-7-10-25-65(59)79-66/h3-41H,1-2H3
InChIKeyGXEQOLMVYYJACD-UHFFFAOYSA-N
MW1024.20 g/mol
LogP19.46
Rot. Bonds6

About 3-[6-[3-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]phenanthridin-3-yl]-12-[3,5-bis(3-methyl-2-pyridinyl)phenyl]-[1]benzofuro[2,3-a]carbazole

3-[6-[3-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]phenanthridin-3-yl]-12-[3,5-bis(3-methyl-2-pyridinyl)phenyl]-[1]benzofuro[2,3-a]carbazole (PubChem CID 154952201) has the molecular formula C73H45N5O2 and a molecular weight of 1024.20 g/mol. Its IUPAC name is 3-[6-[3-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]phenanthridin-3-yl]-12-[3,5-bis(3-methyl-2-pyridinyl)phenyl]-[1]benzofuro[2,3-a]carbazole.

Molecular Properties

Compound Name3-[6-[3-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]phenanthridin-3-yl]-12-[3,5-bis(3-methyl-2-pyridinyl)phenyl]-[1]benzofuro[2,3-a]carbazole
PubChem CID154952201
Molecular FormulaC73H45N5O2
Molecular Weight1024.20 g/mol
Exact Mass1023.36
IUPAC Name3-[6-[3-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]phenanthridin-3-yl]-12-[3,5-bis(3-methyl-2-pyridinyl)phenyl]-[1]benzofuro[2,3-a]carbazole
SMILESCc1cccnc1-c1cc(-c2ncccc2C)cc(-n2c3ccc(-c4ccc5c(c4)nc(-c4cccc(-n6c7ccccc7c7ccc8oc9ccccc9c8c76)c4)c4ccccc45)cc3c3ccc4c5ccccc5oc4c32)c1
InChIInChI=1S/C73H45N5O2/c1-42-14-12-34-74-68(42)47-36-48(69-43(2)15-13-35-75-69)39-50(38-47)78-63-32-27-44(40-60(63)57-29-30-58-54-20-6-9-24-64(54)80-73(58)72(57)78)45-26-28-52-51-18-3-4-21-55(51)70(76-61(52)41-45)46-16-11-17-49(37-46)77-62-23-8-5-19-53(62)56-31-33-66-67(71(56)77)59-22-7-10-25-65(59)79-66/h3-41H,1-2H3
InChIKeyGXEQOLMVYYJACD-UHFFFAOYSA-N
XLogP19.46
TPSA74.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001024.20
LogP ≤ 519.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[3-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]phenanthridin-3-yl]-12-[3,5-bis(3-methyl-2-pyridinyl)phenyl]-[1]benzofuro[2,3-a]carbazole?
The IUPAC name of 3-[6-[3-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]phenanthridin-3-yl]-12-[3,5-bis(3-methyl-2-pyridinyl)phenyl]-[1]benzofuro[2,3-a]carbazole (CID 154952201) is 3-[6-[3-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]phenanthridin-3-yl]-12-[3,5-bis(3-methyl-2-pyridinyl)phenyl]-[1]benzofuro[2,3-a]carbazole.
What is the SMILES notation for 3-[6-[3-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]phenanthridin-3-yl]-12-[3,5-bis(3-methyl-2-pyridinyl)phenyl]-[1]benzofuro[2,3-a]carbazole?
The canonical SMILES for 3-[6-[3-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]phenanthridin-3-yl]-12-[3,5-bis(3-methyl-2-pyridinyl)phenyl]-[1]benzofuro[2,3-a]carbazole is Cc1cccnc1-c1cc(-c2ncccc2C)cc(-n2c3ccc(-c4ccc5c(c4)nc(-c4cccc(-n6c7ccccc7c7ccc8oc9ccccc9c8c76)c4)c4ccccc45)cc3c3ccc4c5ccccc5oc4c32)c1.
What is the InChIKey of 3-[6-[3-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]phenanthridin-3-yl]-12-[3,5-bis(3-methyl-2-pyridinyl)phenyl]-[1]benzofuro[2,3-a]carbazole?
The InChIKey is GXEQOLMVYYJACD-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H45N5O2/c1-42-14-12-34-74-68(42)47-36-48(69-43(2)15-13-35-75-69)39-50(38-47)78-63-32-27-44(40-60(63)57-29-30-58-54-20-6-9-24-64(54)80-73(58)72(57)78)45-26-28-52-51-18-3-4-21-55(51)70(76-61(52)41-45)46-16-11-17-49(37-46)77-62-23-8-5-19-53(62)56-31-33-66-67(71(56)77)59-22-7-10-25-65(59)79-66/h3-41H,1-2H3.
What are the key properties of 3-[6-[3-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]phenanthridin-3-yl]-12-[3,5-bis(3-methyl-2-pyridinyl)phenyl]-[1]benzofuro[2,3-a]carbazole?
3-[6-[3-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]phenanthridin-3-yl]-12-[3,5-bis(3-methyl-2-pyridinyl)phenyl]-[1]benzofuro[2,3-a]carbazole has a molecular weight of 1024.20 g/mol, XLogP of 19.46, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[3-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]phenanthridin-3-yl]-12-[3,5-bis(3-methyl-2-pyridinyl)phenyl]-[1]benzofuro[2,3-a]carbazole is sourced from PubChem (CID 154952201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).