9-phenyl-3-(9-phenylcarbazol-3-yl)-6-[10-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-9,9'-spirobi[fluorene]-4'-yl]triphenylen-2-yl]carbazole

C109H66N4 — CID 134440451

IUPAC9-phenyl-3-(9-phenylcarbazol-3-yl)-6-[10-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-9,9'-spirobi[fluorene]-4'-yl]triphenylen-2-yl]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c(c4)C4(c6ccccc6-5)c5ccccc5-c5c(-c6ccc7c8cc(-c9ccc%10c(c9)c9cc(-c%11ccc%12c(c%11)c%11ccccc%11n%12-c%11ccccc%11)ccc9n%10-c9ccccc9)ccc8c8ccccc8c7c6)cccc54)ccc32)cc1
InChIInChI=1S/C109H66N4/c1-4-23-74(24-5-1)110-100-40-19-14-32-85(100)91-60-68(45-54-103(91)110)69-47-56-105-93(62-69)87-34-16-21-42-102(87)113(105)77-50-53-84-83-31-12-17-37-96(83)109(99(84)66-77)97-38-18-13-35-88(97)108-78(36-22-39-98(108)109)73-44-52-82-89-59-67(43-51-81(89)79-29-10-11-30-80(79)90(82)65-73)71-48-57-106-94(63-71)95-64-72(49-58-107(95)112(106)76-27-8-3-9-28-76)70-46-55-104-92(61-70)86-33-15-20-41-101(86)111(104)75-25-6-2-7-26-75/h1-66H
InChIKeyMGCXDCVUBVEFJG-UHFFFAOYSA-N
MW1431.75 g/mol
LogP28.55
Rot. Bonds8

About 9-phenyl-3-(9-phenylcarbazol-3-yl)-6-[10-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-9,9'-spirobi[fluorene]-4'-yl]triphenylen-2-yl]carbazole

9-phenyl-3-(9-phenylcarbazol-3-yl)-6-[10-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-9,9'-spirobi[fluorene]-4'-yl]triphenylen-2-yl]carbazole (PubChem CID 134440451) has the molecular formula C109H66N4 and a molecular weight of 1431.75 g/mol. Its IUPAC name is 9-phenyl-3-(9-phenylcarbazol-3-yl)-6-[10-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-9,9'-spirobi[fluorene]-4'-yl]triphenylen-2-yl]carbazole.

Molecular Properties

Compound Name9-phenyl-3-(9-phenylcarbazol-3-yl)-6-[10-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-9,9'-spirobi[fluorene]-4'-yl]triphenylen-2-yl]carbazole
PubChem CID134440451
Molecular FormulaC109H66N4
Molecular Weight1431.75 g/mol
Exact Mass1430.53
IUPAC Name9-phenyl-3-(9-phenylcarbazol-3-yl)-6-[10-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-9,9'-spirobi[fluorene]-4'-yl]triphenylen-2-yl]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c(c4)C4(c6ccccc6-5)c5ccccc5-c5c(-c6ccc7c8cc(-c9ccc%10c(c9)c9cc(-c%11ccc%12c(c%11)c%11ccccc%11n%12-c%11ccccc%11)ccc9n%10-c9ccccc9)ccc8c8ccccc8c7c6)cccc54)ccc32)cc1
InChIInChI=1S/C109H66N4/c1-4-23-74(24-5-1)110-100-40-19-14-32-85(100)91-60-68(45-54-103(91)110)69-47-56-105-93(62-69)87-34-16-21-42-102(87)113(105)77-50-53-84-83-31-12-17-37-96(83)109(99(84)66-77)97-38-18-13-35-88(97)108-78(36-22-39-98(108)109)73-44-52-82-89-59-67(43-51-81(89)79-29-10-11-30-80(79)90(82)65-73)71-48-57-106-94(63-71)95-64-72(49-58-107(95)112(106)76-27-8-3-9-28-76)70-46-55-104-92(61-70)86-33-15-20-41-101(86)111(104)75-25-6-2-7-26-75/h1-66H
InChIKeyMGCXDCVUBVEFJG-UHFFFAOYSA-N
XLogP28.55
TPSA19.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms113
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001431.75
LogP ≤ 528.55
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

9-phenyl-2-(2-triphenylen-2-ylcarbazol-9-yl)carbazole;9-phenyl-2-[3-[2-(3-triphenylen-2-ylphenyl)carbazol-9-yl]phenyl]carbazole;9-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-2-(3-triphenylen-2-ylphenyl)carbazole;9-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-2-(3-triphenylen-2-ylphenyl)carbazole
CID 160885222
9-[5'-(19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-8-yl)-9,9'-spirobi[fluorene]-2'-yl]carbazole
CID 169060638
9-phenyl-3-[4-[7'-[4-(9-phenylcarbazol-3-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole
CID 59236537
9-phenyl-3-spiro[benzo[c]fluorene-7,9'-fluorene]-2'-ylcarbazole
CID 129264521
9-[4-(10-phenylanthracen-9-yl)phenyl]-3-(9-phenylcarbazol-3-yl)-6-(9,9'-spirobi[fluorene]-2-yl)carbazole
CID 59306636
3-(9-phenylcarbazol-3-yl)-9-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)carbazole
CID 146759591
9-phenyl-2-[3-(9-phenylcarbazol-3-yl)-5-(9,9'-spirobi[fluorene]-2-yl)phenyl]carbazole
CID 140922382
3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 118449222
9-[4-[4-[4-[4-[3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]phenyl]phenyl]-3-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 134354328
5'-phenyl-3'-(9-phenylcarbazol-3-yl)spiro[fluorene-9,7'-indeno[2,1-b]carbazole]
CID 130288956
7-phenyl-5-(9,9'-spirobi[fluorene]-2-yl)indolo[2,3-b]carbazole
CID 122595613
3-(3-bromophenyl)-9-(9,9'-spirobi[fluorene]-2-yl)carbazole
CID 90215122

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-3-(9-phenylcarbazol-3-yl)-6-[10-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-9,9'-spirobi[fluorene]-4'-yl]triphenylen-2-yl]carbazole?
The IUPAC name of 9-phenyl-3-(9-phenylcarbazol-3-yl)-6-[10-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-9,9'-spirobi[fluorene]-4'-yl]triphenylen-2-yl]carbazole (CID 134440451) is 9-phenyl-3-(9-phenylcarbazol-3-yl)-6-[10-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-9,9'-spirobi[fluorene]-4'-yl]triphenylen-2-yl]carbazole.
What is the SMILES notation for 9-phenyl-3-(9-phenylcarbazol-3-yl)-6-[10-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-9,9'-spirobi[fluorene]-4'-yl]triphenylen-2-yl]carbazole?
The canonical SMILES for 9-phenyl-3-(9-phenylcarbazol-3-yl)-6-[10-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-9,9'-spirobi[fluorene]-4'-yl]triphenylen-2-yl]carbazole is c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c(c4)C4(c6ccccc6-5)c5ccccc5-c5c(-c6ccc7c8cc(-c9ccc%10c(c9)c9cc(-c%11ccc%12c(c%11)c%11ccccc%11n%12-c%11ccccc%11)ccc9n%10-c9ccccc9)ccc8c8ccccc8c7c6)cccc54)ccc32)cc1.
What is the InChIKey of 9-phenyl-3-(9-phenylcarbazol-3-yl)-6-[10-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-9,9'-spirobi[fluorene]-4'-yl]triphenylen-2-yl]carbazole?
The InChIKey is MGCXDCVUBVEFJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C109H66N4/c1-4-23-74(24-5-1)110-100-40-19-14-32-85(100)91-60-68(45-54-103(91)110)69-47-56-105-93(62-69)87-34-16-21-42-102(87)113(105)77-50-53-84-83-31-12-17-37-96(83)109(99(84)66-77)97-38-18-13-35-88(97)108-78(36-22-39-98(108)109)73-44-52-82-89-59-67(43-51-81(89)79-29-10-11-30-80(79)90(82)65-73)71-48-57-106-94(63-71)95-64-72(49-58-107(95)112(106)76-27-8-3-9-28-76)70-46-55-104-92(61-70)86-33-15-20-41-101(86)111(104)75-25-6-2-7-26-75/h1-66H.
What are the key properties of 9-phenyl-3-(9-phenylcarbazol-3-yl)-6-[10-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-9,9'-spirobi[fluorene]-4'-yl]triphenylen-2-yl]carbazole?
9-phenyl-3-(9-phenylcarbazol-3-yl)-6-[10-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-9,9'-spirobi[fluorene]-4'-yl]triphenylen-2-yl]carbazole has a molecular weight of 1431.75 g/mol, XLogP of 28.55, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-3-(9-phenylcarbazol-3-yl)-6-[10-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-9,9'-spirobi[fluorene]-4'-yl]triphenylen-2-yl]carbazole is sourced from PubChem (CID 134440451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).