3-[4-[(9R)-3-(3-carbazol-9-ylphenyl)-9H-fluoren-9-yl]phenyl]-9-(4-phenylphenyl)carbazole

C61H40N2 — CID 170074676

IUPAC3-[4-[(9R)-3-(3-carbazol-9-ylphenyl)-9H-fluoren-9-yl]phenyl]-9-(4-phenylphenyl)carbazole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc([C@@H]6c7ccccc7-c7cc(-c8cccc(-n9c%10ccccc%10c%10ccccc%109)c8)ccc76)cc5)ccc43)cc2)cc1
InChIInChI=1S/C61H40N2/c1-2-13-40(14-3-1)41-29-33-47(34-30-41)62-59-24-11-8-20-52(59)56-39-45(32-36-60(56)62)42-25-27-43(28-26-42)61-53-21-5-4-17-49(53)55-38-46(31-35-54(55)61)44-15-12-16-48(37-44)63-57-22-9-6-18-50(57)51-19-7-10-23-58(51)63/h1-39,61H/t61-/m1/s1
InChIKeyMRZKSTWRPXKBHC-QRXDBQBNSA-N
MW801.01 g/mol
LogP16.04
Rot. Bonds6

About 3-[4-[(9R)-3-(3-carbazol-9-ylphenyl)-9H-fluoren-9-yl]phenyl]-9-(4-phenylphenyl)carbazole

3-[4-[(9R)-3-(3-carbazol-9-ylphenyl)-9H-fluoren-9-yl]phenyl]-9-(4-phenylphenyl)carbazole (PubChem CID 170074676) has the molecular formula C61H40N2 and a molecular weight of 801.01 g/mol. Its IUPAC name is 3-[4-[(9R)-3-(3-carbazol-9-ylphenyl)-9H-fluoren-9-yl]phenyl]-9-(4-phenylphenyl)carbazole.

Molecular Properties

Compound Name3-[4-[(9R)-3-(3-carbazol-9-ylphenyl)-9H-fluoren-9-yl]phenyl]-9-(4-phenylphenyl)carbazole
PubChem CID170074676
Molecular FormulaC61H40N2
Molecular Weight801.01 g/mol
Exact Mass800.32
IUPAC Name3-[4-[(9R)-3-(3-carbazol-9-ylphenyl)-9H-fluoren-9-yl]phenyl]-9-(4-phenylphenyl)carbazole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc([C@@H]6c7ccccc7-c7cc(-c8cccc(-n9c%10ccccc%10c%10ccccc%109)c8)ccc76)cc5)ccc43)cc2)cc1
InChIInChI=1S/C61H40N2/c1-2-13-40(14-3-1)41-29-33-47(34-30-41)62-59-24-11-8-20-52(59)56-39-45(32-36-60(56)62)42-25-27-43(28-26-42)61-53-21-5-4-17-49(53)55-38-46(31-35-54(55)61)44-15-12-16-48(37-44)63-57-22-9-6-18-50(57)51-19-7-10-23-58(51)63/h1-39,61H/t61-/m1/s1
InChIKeyMRZKSTWRPXKBHC-QRXDBQBNSA-N
XLogP16.04
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500801.01
LogP ≤ 516.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(9-phenyl-9H-fluoren-3-yl)-9-(4-phenylphenyl)carbazole
CID 170253658
3-[9-[3-(4-carbazol-9-ylphenyl)phenyl]-9H-fluoren-3-yl]-9-phenylcarbazole
CID 170060039
9-phenyl-3-[3-(9-phenylcarbazol-3-yl)-9H-fluoren-9-yl]carbazole
CID 118423662
3-[4-(9H-fluoren-9-yl)phenyl]-9-[4-[9-[(4-phenylphenyl)methyl]-9H-fluoren-3-yl]phenyl]carbazole
CID 170064226
5-naphthalen-2-yl-11-phenyl-2-[9-(3-phenylphenyl)carbazol-3-yl]indolo[3,2-b]carbazole;5-naphthalen-2-yl-7-phenyl-2-[9-(3-phenylphenyl)-9H-fluoren-3-yl]-7H-indeno[2,1-b]carbazole
CID 157209496
3-[9-(3,5-diphenylphenyl)-9H-fluoren-3-yl]-9-naphthalen-2-yl-9H-fluorene;3-(9-naphthalen-2-yl-9H-fluoren-3-yl)-9-(3-phenylphenyl)carbazole
CID 161333378
5-[4-(9H-fluoren-9-yl)phenyl]-9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 166002881
14-phenyl-5-(9-phenyl-9H-fluoren-3-yl)-9-(3-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;12-phenyl-7-(9-phenyl-9H-fluoren-3-yl)-10-(3-phenylphenyl)-10,12-dihydroindeno[2,1-b]fluorene;11-phenyl-2-(9-phenyl-9H-fluoren-3-yl)-5-(3-phenylphenyl)-11H-indeno[1,2-b]carbazole
CID 158115403
3-(9-dibenzofuran-2-yl-9H-fluoren-3-yl)-9-(3-dibenzofuran-2-ylphenyl)carbazole
CID 163643866
3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[3-(4-phenylphenyl)phenyl]carbazole;3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 161418420
3-(9-phenylcarbazol-3-yl)-9-[3-(4-phenylphenyl)phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 161279377
9-(3-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 118014168

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(9R)-3-(3-carbazol-9-ylphenyl)-9H-fluoren-9-yl]phenyl]-9-(4-phenylphenyl)carbazole?
The IUPAC name of 3-[4-[(9R)-3-(3-carbazol-9-ylphenyl)-9H-fluoren-9-yl]phenyl]-9-(4-phenylphenyl)carbazole (CID 170074676) is 3-[4-[(9R)-3-(3-carbazol-9-ylphenyl)-9H-fluoren-9-yl]phenyl]-9-(4-phenylphenyl)carbazole.
What is the SMILES notation for 3-[4-[(9R)-3-(3-carbazol-9-ylphenyl)-9H-fluoren-9-yl]phenyl]-9-(4-phenylphenyl)carbazole?
The canonical SMILES for 3-[4-[(9R)-3-(3-carbazol-9-ylphenyl)-9H-fluoren-9-yl]phenyl]-9-(4-phenylphenyl)carbazole is c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc([C@@H]6c7ccccc7-c7cc(-c8cccc(-n9c%10ccccc%10c%10ccccc%109)c8)ccc76)cc5)ccc43)cc2)cc1.
What is the InChIKey of 3-[4-[(9R)-3-(3-carbazol-9-ylphenyl)-9H-fluoren-9-yl]phenyl]-9-(4-phenylphenyl)carbazole?
The InChIKey is MRZKSTWRPXKBHC-QRXDBQBNSA-N. The full InChI is InChI=1S/C61H40N2/c1-2-13-40(14-3-1)41-29-33-47(34-30-41)62-59-24-11-8-20-52(59)56-39-45(32-36-60(56)62)42-25-27-43(28-26-42)61-53-21-5-4-17-49(53)55-38-46(31-35-54(55)61)44-15-12-16-48(37-44)63-57-22-9-6-18-50(57)51-19-7-10-23-58(51)63/h1-39,61H/t61-/m1/s1.
What are the key properties of 3-[4-[(9R)-3-(3-carbazol-9-ylphenyl)-9H-fluoren-9-yl]phenyl]-9-(4-phenylphenyl)carbazole?
3-[4-[(9R)-3-(3-carbazol-9-ylphenyl)-9H-fluoren-9-yl]phenyl]-9-(4-phenylphenyl)carbazole has a molecular weight of 801.01 g/mol, XLogP of 16.04, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(9R)-3-(3-carbazol-9-ylphenyl)-9H-fluoren-9-yl]phenyl]-9-(4-phenylphenyl)carbazole is sourced from PubChem (CID 170074676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).