3-[4-[9,9-diphenyl-7-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-yl]phenyl]-9-phenylcarbazole

C73H48N2 — CID 89118693

IUPAC3-[4-[9,9-diphenyl-7-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-yl]phenyl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5cc(-c7ccc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)cc7)ccc5-6)cc4)ccc32)cc1
InChIInChI=1S/C73H48N2/c1-5-17-57(18-6-1)73(58-19-7-2-8-20-58)67-47-55(51-33-29-49(30-34-51)53-39-43-71-65(45-53)63-25-13-15-27-69(63)74(71)59-21-9-3-10-22-59)37-41-61(67)62-42-38-56(48-68(62)73)52-35-31-50(32-36-52)54-40-44-72-66(46-54)64-26-14-16-28-70(64)75(72)60-23-11-4-12-24-60/h1-48H
InChIKeyKIUPOBJRJVGEEP-UHFFFAOYSA-N
MW953.20 g/mol
LogP18.91
Rot. Bonds8

About 3-[4-[9,9-diphenyl-7-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-yl]phenyl]-9-phenylcarbazole

3-[4-[9,9-diphenyl-7-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-yl]phenyl]-9-phenylcarbazole (PubChem CID 89118693) has the molecular formula C73H48N2 and a molecular weight of 953.20 g/mol. Its IUPAC name is 3-[4-[9,9-diphenyl-7-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-yl]phenyl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[4-[9,9-diphenyl-7-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-yl]phenyl]-9-phenylcarbazole
PubChem CID89118693
Molecular FormulaC73H48N2
Molecular Weight953.20 g/mol
Exact Mass952.38
IUPAC Name3-[4-[9,9-diphenyl-7-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-yl]phenyl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5cc(-c7ccc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)cc7)ccc5-6)cc4)ccc32)cc1
InChIInChI=1S/C73H48N2/c1-5-17-57(18-6-1)73(58-19-7-2-8-20-58)67-47-55(51-33-29-49(30-34-51)53-39-43-71-65(45-53)63-25-13-15-27-69(63)74(71)59-21-9-3-10-22-59)37-41-61(67)62-42-38-56(48-68(62)73)52-35-31-50(32-36-52)54-40-44-72-66(46-54)64-26-14-16-28-70(64)75(72)60-23-11-4-12-24-60/h1-48H
InChIKeyKIUPOBJRJVGEEP-UHFFFAOYSA-N
XLogP18.91
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500953.20
LogP ≤ 518.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-[(E)-2-[4-[9,9-diphenyl-7-[4-[(E)-2-[4-(9-phenylcarbazol-3-yl)phenyl]ethenyl]phenyl]fluoren-2-yl]phenyl]ethenyl]phenyl]-9-phenylcarbazole
CID 59236586
9-phenyl-3-[4-[7'-[4-(9-phenylcarbazol-3-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole
CID 59236537
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
3,6-bis(9,9-diphenylfluoren-2-yl)-9-[4-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]phenyl]carbazole
CID 59306967
3-[4-[(E)-2-[7'-[9,9-diphenyl-7-[(E)-2-[4-(9-phenylcarbazol-3-yl)phenyl]ethenyl]fluoren-2-yl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]phenyl]-9-phenylcarbazole
CID 59236244
3,6-bis[4-[3,6-bis(9,9-diphenylfluoren-2-yl)carbazol-9-yl]phenyl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 59306581
9-phenyl-6-(9-phenylcarbazol-3-yl)-2-(9-phenylfluoren-9-yl)carbazole
CID 118145084
3-(9,9-diphenylfluoren-2-yl)-4-[4-(9-phenylcarbazol-3-yl)phenyl]-2-(4-phenylphenyl)aniline
CID 129164897
9-phenyl-3-(9-phenylfluoren-9-yl)-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 121311550
3-[9-[4-[3-[4-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 154590573
3-[4-[9-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-9-yl]phenyl]-9-[3-[9-[4-[4-[9-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-9-yl]phenyl]phenyl]carbazol-3-yl]phenyl]carbazole
CID 146517009

Frequently Asked Questions

What is the IUPAC name of 3-[4-[9,9-diphenyl-7-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-yl]phenyl]-9-phenylcarbazole?
The IUPAC name of 3-[4-[9,9-diphenyl-7-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-yl]phenyl]-9-phenylcarbazole (CID 89118693) is 3-[4-[9,9-diphenyl-7-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-yl]phenyl]-9-phenylcarbazole.
What is the SMILES notation for 3-[4-[9,9-diphenyl-7-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-yl]phenyl]-9-phenylcarbazole?
The canonical SMILES for 3-[4-[9,9-diphenyl-7-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-yl]phenyl]-9-phenylcarbazole is c1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5cc(-c7ccc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)cc7)ccc5-6)cc4)ccc32)cc1.
What is the InChIKey of 3-[4-[9,9-diphenyl-7-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-yl]phenyl]-9-phenylcarbazole?
The InChIKey is KIUPOBJRJVGEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H48N2/c1-5-17-57(18-6-1)73(58-19-7-2-8-20-58)67-47-55(51-33-29-49(30-34-51)53-39-43-71-65(45-53)63-25-13-15-27-69(63)74(71)59-21-9-3-10-22-59)37-41-61(67)62-42-38-56(48-68(62)73)52-35-31-50(32-36-52)54-40-44-72-66(46-54)64-26-14-16-28-70(64)75(72)60-23-11-4-12-24-60/h1-48H.
What are the key properties of 3-[4-[9,9-diphenyl-7-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-yl]phenyl]-9-phenylcarbazole?
3-[4-[9,9-diphenyl-7-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-yl]phenyl]-9-phenylcarbazole has a molecular weight of 953.20 g/mol, XLogP of 18.91, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[9,9-diphenyl-7-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-yl]phenyl]-9-phenylcarbazole is sourced from PubChem (CID 89118693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).