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

C84H51N3 — CID 88905893

IUPAC3-(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
SMILESC1=CC2c3ccc(-c4ccc5c6ccc(-c7ccc8c(c7)C7(c9ccccc9-c9ccccc97)c7ccccc7-8)cc6c6ncc(-c7cccc(-n8c9ccccc9c9ccccc98)c7)nc6c5c4)cc3C3(c4ccccc4-c4ccccc43)C2C=C1
InChIInChI=1S/C84H51N3/c1-9-28-70-58(20-1)59-21-2-10-29-71(59)83(70)74-32-13-5-24-62(74)64-42-38-52(47-76(64)83)50-36-40-56-57-41-37-51(53-39-43-65-63-25-6-14-33-75(63)84(77(65)48-53)72-30-11-3-22-60(72)61-23-4-12-31-73(61)84)46-69(57)82-81(68(56)45-50)85-49-78(86-82)54-18-17-19-55(44-54)87-79-34-15-7-26-66(79)67-27-8-16-35-80(67)87/h1-49,63,75H
InChIKeyXKSNAFQPZPRXBW-UHFFFAOYSA-N
MW1102.35 g/mol
LogP20.53
Rot. Bonds4

About 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

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 (PubChem CID 88905893) has the molecular formula C84H51N3 and a molecular weight of 1102.35 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-(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
PubChem CID88905893
Molecular FormulaC84H51N3
Molecular Weight1102.35 g/mol
Exact Mass1101.41
IUPAC Name3-(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
SMILESC1=CC2c3ccc(-c4ccc5c6ccc(-c7ccc8c(c7)C7(c9ccccc9-c9ccccc97)c7ccccc7-8)cc6c6ncc(-c7cccc(-n8c9ccccc9c9ccccc98)c7)nc6c5c4)cc3C3(c4ccccc4-c4ccccc43)C2C=C1
InChIInChI=1S/C84H51N3/c1-9-28-70-58(20-1)59-21-2-10-29-71(59)83(70)74-32-13-5-24-62(74)64-42-38-52(47-76(64)83)50-36-40-56-57-41-37-51(53-39-43-65-63-25-6-14-33-75(63)84(77(65)48-53)72-30-11-3-22-60(72)61-23-4-12-31-73(61)84)46-69(57)82-81(68(56)45-50)85-49-78(86-82)54-18-17-19-55(44-54)87-79-34-15-7-26-66(79)67-27-8-16-35-80(67)87/h1-49,63,75H
InChIKeyXKSNAFQPZPRXBW-UHFFFAOYSA-N
XLogP20.53
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms87
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001102.35
LogP ≤ 520.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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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-[3,5-di(carbazol-9-yl)phenyl]-6,11-bis(9,9'-spirobi[fluorene]-2-yl)phenanthro[9,10-b]pyrazine
CID 89475650
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)-6,11-diphenylphenanthro[9,10-b]pyrazine
CID 58410317
6,11-diphenyl-3-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenanthro[9,10-b]pyrazine
CID 118682663
3-[9,9-diphenyl-7-[3-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-yl]phenanthro[9,10-b]pyrazine
CID 129063804
3-[3-[3-(9,9'-spirobi[fluorene]-2-yl)carbazol-9-yl]phenyl]-9,10-dihydrophenanthro[9,10-b]pyrazine
CID 163802532
2-[3-(3-bromophenyl)phenyl]-9-spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-2'-ylcarbazole
CID 144639698
3-[3-[3-(6,9-diphenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[3-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenanthro[9,10-b]pyrazine
CID 159743205
3-[2-(9-phenyl-6-spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-2-ylcarbazol-2-yl)phenyl]phenanthro[9,10-b]pyrazine
CID 88905992
3-[4-[3-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063751
3-[4-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063610

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C1=CC2c3ccc(-c4ccc5c6ccc(-c7ccc8c(c7)C7(c9ccccc9-c9ccccc97)c7ccccc7-8)cc6c6ncc(-c7cccc(-n8c9ccccc9c9ccccc98)c7)nc6c5c4)cc3C3(c4ccccc4-c4ccccc43)C2C=C1.
What is the InChIKey of 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?
The InChIKey is XKSNAFQPZPRXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H51N3/c1-9-28-70-58(20-1)59-21-2-10-29-71(59)83(70)74-32-13-5-24-62(74)64-42-38-52(47-76(64)83)50-36-40-56-57-41-37-51(53-39-43-65-63-25-6-14-33-75(63)84(77(65)48-53)72-30-11-3-22-60(72)61-23-4-12-31-73(61)84)46-69(57)82-81(68(56)45-50)85-49-78(86-82)54-18-17-19-55(44-54)87-79-34-15-7-26-66(79)67-27-8-16-35-80(67)87/h1-49,63,75H.
What are the key properties of 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?
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 has a molecular weight of 1102.35 g/mol, XLogP of 20.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 88905893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).