3-[9-(9H-fluoren-1-yl)carbazol-3-yl]-9-(4-phenylnaphthalen-2-yl)carbazole

C53H34N2 — CID 167043378

IUPAC3-[9-(9H-fluoren-1-yl)carbazol-3-yl]-9-(4-phenylnaphthalen-2-yl)carbazole
SMILESc1ccc(-c2cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc6c5Cc5ccccc5-6)ccc43)cc3ccccc23)cc1
InChIInChI=1S/C53H34N2/c1-2-13-34(14-3-1)45-33-39(29-37-15-4-7-18-41(37)45)54-49-22-10-8-19-43(49)47-30-35(25-27-52(47)54)36-26-28-53-48(31-36)44-20-9-11-23-50(44)55(53)51-24-12-21-42-40-17-6-5-16-38(40)32-46(42)51/h1-31,33H,32H2
InChIKeyPFDDWJVTZHHOAL-UHFFFAOYSA-N
MW698.87 g/mol
LogP13.94
Rot. Bonds4

About 3-[9-(9H-fluoren-1-yl)carbazol-3-yl]-9-(4-phenylnaphthalen-2-yl)carbazole

3-[9-(9H-fluoren-1-yl)carbazol-3-yl]-9-(4-phenylnaphthalen-2-yl)carbazole (PubChem CID 167043378) has the molecular formula C53H34N2 and a molecular weight of 698.87 g/mol. Its IUPAC name is 3-[9-(9H-fluoren-1-yl)carbazol-3-yl]-9-(4-phenylnaphthalen-2-yl)carbazole.

Molecular Properties

Compound Name3-[9-(9H-fluoren-1-yl)carbazol-3-yl]-9-(4-phenylnaphthalen-2-yl)carbazole
PubChem CID167043378
Molecular FormulaC53H34N2
Molecular Weight698.87 g/mol
Exact Mass698.27
IUPAC Name3-[9-(9H-fluoren-1-yl)carbazol-3-yl]-9-(4-phenylnaphthalen-2-yl)carbazole
SMILESc1ccc(-c2cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc6c5Cc5ccccc5-6)ccc43)cc3ccccc23)cc1
InChIInChI=1S/C53H34N2/c1-2-13-34(14-3-1)45-33-39(29-37-15-4-7-18-41(37)45)54-49-22-10-8-19-43(49)47-30-35(25-27-52(47)54)36-26-28-53-48(31-36)44-20-9-11-23-50(44)55(53)51-24-12-21-42-40-17-6-5-16-38(40)32-46(42)51/h1-31,33H,32H2
InChIKeyPFDDWJVTZHHOAL-UHFFFAOYSA-N
XLogP13.94
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500698.87
LogP ≤ 513.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[9-(9H-fluoren-1-yl)carbazol-3-yl]-9-phenylcarbazole
CID 121241625
CID 144729927
CID 144729927
9-(9H-fluoren-1-yl)-6-(9-phenylcarbazol-3-yl)carbazole-2-carbonitrile
CID 118330165
7-[4-(9H-fluoren-1-yl)phenyl]-2,5-diphenylindolo[2,3-b]carbazole
CID 126580464
3-[9-[3-(9H-fluoren-2-yl)naphthalen-1-yl]carbazol-3-yl]-9-phenylcarbazole
CID 126753402
9-(9H-fluoren-3-yl)-14-(1-phenyl-9H-fluoren-3-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(9H-fluoren-3-yl)-14-(8-phenyl-9H-fluoren-1-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-naphthalen-2-yl-14-(8-phenyl-9H-fluoren-1-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(1-phenyl-9H-fluoren-3-yl)-14-(8-phenyl-9H-fluoren-1-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(8-phenyl-9H-fluoren-1-yl)-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-phenyl-14-(8-phenyl-9H-fluoren-1-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 161417715
3-carbazol-9-yl-9-[1-[3-(4-phenylphenyl)phenyl]-9H-fluoren-3-yl]carbazole
CID 118346460
9-(9H-fluoren-3-yl)-14-(1-phenyl-9H-fluoren-3-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(1-phenyl-9H-fluoren-3-yl)-14-(8-phenyl-9H-fluoren-1-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-phenyl-14-[4-(8-phenyl-9H-fluoren-1-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 158545192
3-carbazol-9-yl-9-[8-[3-(4-phenylphenyl)phenyl]-9H-fluoren-1-yl]carbazole;9-[5-[3-(4-phenylphenyl)phenyl]-9H-fluoren-1-yl]carbazole;9-[8-[3-(4-phenylphenyl)phenyl]-9H-fluoren-3-yl]carbazole
CID 158848481
3-(9-phenanthren-9-ylcarbazol-3-yl)-9-[2-(4-phenylphenyl)phenyl]carbazole
CID 146848842
N-[4-(9H-fluoren-1-yl)phenyl]-4-(9-phenylcarbazol-3-yl)aniline
CID 155138336
3-[9-(2-phenylphenyl)carbazol-3-yl]-9-[2-[4-[4-[3-[3-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590713

Frequently Asked Questions

What is the IUPAC name of 3-[9-(9H-fluoren-1-yl)carbazol-3-yl]-9-(4-phenylnaphthalen-2-yl)carbazole?
The IUPAC name of 3-[9-(9H-fluoren-1-yl)carbazol-3-yl]-9-(4-phenylnaphthalen-2-yl)carbazole (CID 167043378) is 3-[9-(9H-fluoren-1-yl)carbazol-3-yl]-9-(4-phenylnaphthalen-2-yl)carbazole.
What is the SMILES notation for 3-[9-(9H-fluoren-1-yl)carbazol-3-yl]-9-(4-phenylnaphthalen-2-yl)carbazole?
The canonical SMILES for 3-[9-(9H-fluoren-1-yl)carbazol-3-yl]-9-(4-phenylnaphthalen-2-yl)carbazole is c1ccc(-c2cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc6c5Cc5ccccc5-6)ccc43)cc3ccccc23)cc1.
What is the InChIKey of 3-[9-(9H-fluoren-1-yl)carbazol-3-yl]-9-(4-phenylnaphthalen-2-yl)carbazole?
The InChIKey is PFDDWJVTZHHOAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H34N2/c1-2-13-34(14-3-1)45-33-39(29-37-15-4-7-18-41(37)45)54-49-22-10-8-19-43(49)47-30-35(25-27-52(47)54)36-26-28-53-48(31-36)44-20-9-11-23-50(44)55(53)51-24-12-21-42-40-17-6-5-16-38(40)32-46(42)51/h1-31,33H,32H2.
What are the key properties of 3-[9-(9H-fluoren-1-yl)carbazol-3-yl]-9-(4-phenylnaphthalen-2-yl)carbazole?
3-[9-(9H-fluoren-1-yl)carbazol-3-yl]-9-(4-phenylnaphthalen-2-yl)carbazole has a molecular weight of 698.87 g/mol, XLogP of 13.94, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-(9H-fluoren-1-yl)carbazol-3-yl]-9-(4-phenylnaphthalen-2-yl)carbazole is sourced from PubChem (CID 167043378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).