9-phenyl-3-[4-[7'-[4-(9-phenylcarbazol-3-yl)phenyl]spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]phenyl]carbazole

C69H46N2 — CID 58987327

IUPAC9-phenyl-3-[4-[7'-[4-(9-phenylcarbazol-3-yl)phenyl]spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]phenyl]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5ccc6c(c5)C5(Cc7ccccc7C5)c5cc(-c7ccc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)cc7)ccc5-6)cc4)ccc32)cc1
InChIInChI=1S/C69H46N2/c1-3-15-55(16-4-1)70-65-21-11-9-19-59(65)61-39-49(33-37-67(61)70)45-23-27-47(28-24-45)51-31-35-57-58-36-32-52(42-64(58)69(63(57)41-51)43-53-13-7-8-14-54(53)44-69)48-29-25-46(26-30-48)50-34-38-68-62(40-50)60-20-10-12-22-66(60)71(68)56-17-5-2-6-18-56/h1-42H,43-44H2
InChIKeyVQPPFWNCHWKJQC-UHFFFAOYSA-N
MW903.14 g/mol
LogP17.61
Rot. Bonds6

About 9-phenyl-3-[4-[7'-[4-(9-phenylcarbazol-3-yl)phenyl]spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]phenyl]carbazole

9-phenyl-3-[4-[7'-[4-(9-phenylcarbazol-3-yl)phenyl]spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]phenyl]carbazole (PubChem CID 58987327) has the molecular formula C69H46N2 and a molecular weight of 903.14 g/mol. Its IUPAC name is 9-phenyl-3-[4-[7'-[4-(9-phenylcarbazol-3-yl)phenyl]spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]phenyl]carbazole.

Molecular Properties

Compound Name9-phenyl-3-[4-[7'-[4-(9-phenylcarbazol-3-yl)phenyl]spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]phenyl]carbazole
PubChem CID58987327
Molecular FormulaC69H46N2
Molecular Weight903.14 g/mol
Exact Mass902.37
IUPAC Name9-phenyl-3-[4-[7'-[4-(9-phenylcarbazol-3-yl)phenyl]spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]phenyl]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5ccc6c(c5)C5(Cc7ccccc7C5)c5cc(-c7ccc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)cc7)ccc5-6)cc4)ccc32)cc1
InChIInChI=1S/C69H46N2/c1-3-15-55(16-4-1)70-65-21-11-9-19-59(65)61-39-49(33-37-67(61)70)45-23-27-47(28-24-45)51-31-35-57-58-36-32-52(42-64(58)69(63(57)41-51)43-53-13-7-8-14-54(53)44-69)48-29-25-46(26-30-48)50-34-38-68-62(40-50)60-20-10-12-22-66(60)71(68)56-17-5-2-6-18-56/h1-42H,43-44H2
InChIKeyVQPPFWNCHWKJQC-UHFFFAOYSA-N
XLogP17.61
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500903.14
LogP ≤ 517.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(3-phenylphenyl)spiro[1,3-dihydroindene-2,9'-fluorene]-2'-amine
CID 162779846
9-phenyl-3-[4-[7'-[4-(9-phenylcarbazol-3-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole
CID 59236537
3-[4-[9,9-diphenyl-7-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-yl]phenyl]-9-phenylcarbazole
CID 89118693
N,9-diphenyl-N-(4-spiro[1,3-dihydroindene-2,9'-fluorene]-2'-ylphenyl)carbazol-2-amine
CID 162779800
3-[4-[9,9-dimethyl-7-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]fluoren-2-yl]naphthalen-1-yl]-9-phenylcarbazole
CID 59236172
3-[6-[9,9-dimethyl-7-[6-(9-phenylcarbazol-3-yl)naphthalen-2-yl]fluoren-2-yl]naphthalen-2-yl]-9-phenylcarbazole
CID 59236707
9-[6-carbazol-9-yl-9,10-di(spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl)anthracen-2-yl]carbazole
CID 59219584
9-[4-[7'-(4-carbazol-9-ylphenyl)-5-pyridin-2-ylspiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]phenyl]carbazole
CID 58793163
9-[4-[4-[7'-[4-(4-carbazol-9-ylphenyl)phenyl]-5-pyridin-2-ylspiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]phenyl]phenyl]carbazole
CID 58793223
3-[9-[4-[2,6-bis(4-phenylphenyl)-4-pyridinyl]phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[7-(2,6-diphenyl-4-pyridinyl)-9,9-dimethylfluoren-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-[4-[2-phenyl-6-(4-phenylphenyl)-4-pyridinyl]phenyl]carbazole
CID 159697484
3-(4-carbazol-9-ylphenyl)-9-phenylcarbazole
CID 20685483
3-[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 90085403

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-3-[4-[7'-[4-(9-phenylcarbazol-3-yl)phenyl]spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]phenyl]carbazole?
The IUPAC name of 9-phenyl-3-[4-[7'-[4-(9-phenylcarbazol-3-yl)phenyl]spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]phenyl]carbazole (CID 58987327) is 9-phenyl-3-[4-[7'-[4-(9-phenylcarbazol-3-yl)phenyl]spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]phenyl]carbazole.
What is the SMILES notation for 9-phenyl-3-[4-[7'-[4-(9-phenylcarbazol-3-yl)phenyl]spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]phenyl]carbazole?
The canonical SMILES for 9-phenyl-3-[4-[7'-[4-(9-phenylcarbazol-3-yl)phenyl]spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]phenyl]carbazole is c1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5ccc6c(c5)C5(Cc7ccccc7C5)c5cc(-c7ccc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)cc7)ccc5-6)cc4)ccc32)cc1.
What is the InChIKey of 9-phenyl-3-[4-[7'-[4-(9-phenylcarbazol-3-yl)phenyl]spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]phenyl]carbazole?
The InChIKey is VQPPFWNCHWKJQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H46N2/c1-3-15-55(16-4-1)70-65-21-11-9-19-59(65)61-39-49(33-37-67(61)70)45-23-27-47(28-24-45)51-31-35-57-58-36-32-52(42-64(58)69(63(57)41-51)43-53-13-7-8-14-54(53)44-69)48-29-25-46(26-30-48)50-34-38-68-62(40-50)60-20-10-12-22-66(60)71(68)56-17-5-2-6-18-56/h1-42H,43-44H2.
What are the key properties of 9-phenyl-3-[4-[7'-[4-(9-phenylcarbazol-3-yl)phenyl]spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]phenyl]carbazole?
9-phenyl-3-[4-[7'-[4-(9-phenylcarbazol-3-yl)phenyl]spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]phenyl]carbazole has a molecular weight of 903.14 g/mol, XLogP of 17.61, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-3-[4-[7'-[4-(9-phenylcarbazol-3-yl)phenyl]spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]phenyl]carbazole is sourced from PubChem (CID 58987327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).