3-[3,5-di(carbazol-9-yl)phenyl]-6,11-bis(9,9'-spirobi[fluorene]-2-yl)phenanthro[9,10-b]pyrazine

C96H56N4 — CID 89475650

IUPAC3-[3,5-di(carbazol-9-yl)phenyl]-6,11-bis(9,9'-spirobi[fluorene]-2-yl)phenanthro[9,10-b]pyrazine
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(-c3ccc4c5ccc(-c6ccc7c(c6)C6(c8ccccc8-c8ccccc86)c6ccccc6-7)cc5c5nc(-c6cc(-n7c8ccccc8c8ccccc87)cc(-n7c8ccccc8c8ccccc87)c6)cnc5c4c3)cc21
InChIInChI=1S/C96H56N4/c1-11-31-80-66(21-1)67-22-2-12-32-81(67)95(80)84-35-15-5-25-70(84)72-47-43-59(53-86(72)95)57-41-45-64-65-46-42-58(60-44-48-73-71-26-6-16-36-85(71)96(87(73)54-60)82-33-13-3-23-68(82)69-24-4-14-34-83(69)96)52-79(65)94-93(78(64)51-57)97-56-88(98-94)61-49-62(99-89-37-17-7-27-74(89)75-28-8-18-38-90(75)99)55-63(50-61)100-91-39-19-9-29-76(91)77-30-10-20-40-92(77)100/h1-56H
InChIKeyDSGRSUKCPQESCX-UHFFFAOYSA-N
MW1265.53 g/mol
LogP23.82
Rot. Bonds5

About 3-[3,5-di(carbazol-9-yl)phenyl]-6,11-bis(9,9'-spirobi[fluorene]-2-yl)phenanthro[9,10-b]pyrazine

3-[3,5-di(carbazol-9-yl)phenyl]-6,11-bis(9,9'-spirobi[fluorene]-2-yl)phenanthro[9,10-b]pyrazine (PubChem CID 89475650) has the molecular formula C96H56N4 and a molecular weight of 1265.53 g/mol. Its IUPAC name is 3-[3,5-di(carbazol-9-yl)phenyl]-6,11-bis(9,9'-spirobi[fluorene]-2-yl)phenanthro[9,10-b]pyrazine.

Molecular Properties

Compound Name3-[3,5-di(carbazol-9-yl)phenyl]-6,11-bis(9,9'-spirobi[fluorene]-2-yl)phenanthro[9,10-b]pyrazine
PubChem CID89475650
Molecular FormulaC96H56N4
Molecular Weight1265.53 g/mol
Exact Mass1264.45
IUPAC Name3-[3,5-di(carbazol-9-yl)phenyl]-6,11-bis(9,9'-spirobi[fluorene]-2-yl)phenanthro[9,10-b]pyrazine
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(-c3ccc4c5ccc(-c6ccc7c(c6)C6(c8ccccc8-c8ccccc86)c6ccccc6-7)cc5c5nc(-c6cc(-n7c8ccccc8c8ccccc87)cc(-n7c8ccccc8c8ccccc87)c6)cnc5c4c3)cc21
InChIInChI=1S/C96H56N4/c1-11-31-80-66(21-1)67-22-2-12-32-81(67)95(80)84-35-15-5-25-70(84)72-47-43-59(53-86(72)95)57-41-45-64-65-46-42-58(60-44-48-73-71-26-6-16-36-85(71)96(87(73)54-60)82-33-13-3-23-68(82)69-24-4-14-34-83(69)96)52-79(65)94-93(78(64)51-57)97-56-88(98-94)61-49-62(99-89-37-17-7-27-74(89)75-28-8-18-38-90(75)99)55-63(50-61)100-91-39-19-9-29-76(91)77-30-10-20-40-92(77)100/h1-56H
InChIKeyDSGRSUKCPQESCX-UHFFFAOYSA-N
XLogP23.82
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms100
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001265.53
LogP ≤ 523.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[3-[3-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]carbazol-9-yl]phenyl]phenanthro[9,10-b]pyrazine
CID 58410375
3-[3-[9-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-yl]phenyl]phenanthro[9,10-b]pyrazine
CID 58410410
3-(3-carbazol-9-ylphenyl)-6-spiro[4b,8a-dihydrofluorene-9,9'-fluorene]-2-yl-11-(9,9'-spirobi[fluorene]-2-yl)phenanthro[9,10-b]pyrazine
CID 88905893
3-(3-carbazol-9-ylphenyl)-6,11-diphenylphenanthro[9,10-b]pyrazine
CID 58410317
3-[9,9-diphenyl-7-[3-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-yl]phenanthro[9,10-b]pyrazine
CID 129063804
3-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 89475592
3-[7-(4-carbazol-9-ylphenyl)-9,9-dimethylfluoren-2-yl]phenanthro[9,10-b]pyrazine
CID 129063906
3-[3-[3-(9,9'-spirobi[fluorene]-2-yl)carbazol-9-yl]phenyl]-9,10-dihydrophenanthro[9,10-b]pyrazine
CID 163802532
3-[9,9-dimethyl-7-[4-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]fluoren-2-yl]phenanthro[9,10-b]pyrazine
CID 129064197
6,11-dinaphthalen-1-yl-3-[3-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063953
9-[4-[7'-(4-carbazol-9-ylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole
CID 59217021
6,11-diphenyl-3-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenanthro[9,10-b]pyrazine
CID 118682663

Frequently Asked Questions

What is the IUPAC name of 3-[3,5-di(carbazol-9-yl)phenyl]-6,11-bis(9,9'-spirobi[fluorene]-2-yl)phenanthro[9,10-b]pyrazine?
The IUPAC name of 3-[3,5-di(carbazol-9-yl)phenyl]-6,11-bis(9,9'-spirobi[fluorene]-2-yl)phenanthro[9,10-b]pyrazine (CID 89475650) is 3-[3,5-di(carbazol-9-yl)phenyl]-6,11-bis(9,9'-spirobi[fluorene]-2-yl)phenanthro[9,10-b]pyrazine.
What is the SMILES notation for 3-[3,5-di(carbazol-9-yl)phenyl]-6,11-bis(9,9'-spirobi[fluorene]-2-yl)phenanthro[9,10-b]pyrazine?
The canonical SMILES for 3-[3,5-di(carbazol-9-yl)phenyl]-6,11-bis(9,9'-spirobi[fluorene]-2-yl)phenanthro[9,10-b]pyrazine is c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(-c3ccc4c5ccc(-c6ccc7c(c6)C6(c8ccccc8-c8ccccc86)c6ccccc6-7)cc5c5nc(-c6cc(-n7c8ccccc8c8ccccc87)cc(-n7c8ccccc8c8ccccc87)c6)cnc5c4c3)cc21.
What is the InChIKey of 3-[3,5-di(carbazol-9-yl)phenyl]-6,11-bis(9,9'-spirobi[fluorene]-2-yl)phenanthro[9,10-b]pyrazine?
The InChIKey is DSGRSUKCPQESCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C96H56N4/c1-11-31-80-66(21-1)67-22-2-12-32-81(67)95(80)84-35-15-5-25-70(84)72-47-43-59(53-86(72)95)57-41-45-64-65-46-42-58(60-44-48-73-71-26-6-16-36-85(71)96(87(73)54-60)82-33-13-3-23-68(82)69-24-4-14-34-83(69)96)52-79(65)94-93(78(64)51-57)97-56-88(98-94)61-49-62(99-89-37-17-7-27-74(89)75-28-8-18-38-90(75)99)55-63(50-61)100-91-39-19-9-29-76(91)77-30-10-20-40-92(77)100/h1-56H.
What are the key properties of 3-[3,5-di(carbazol-9-yl)phenyl]-6,11-bis(9,9'-spirobi[fluorene]-2-yl)phenanthro[9,10-b]pyrazine?
3-[3,5-di(carbazol-9-yl)phenyl]-6,11-bis(9,9'-spirobi[fluorene]-2-yl)phenanthro[9,10-b]pyrazine has a molecular weight of 1265.53 g/mol, XLogP of 23.82, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,5-di(carbazol-9-yl)phenyl]-6,11-bis(9,9'-spirobi[fluorene]-2-yl)phenanthro[9,10-b]pyrazine is sourced from PubChem (CID 89475650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).