4-(4-fluoranthen-3-ylnaphthalen-1-yl)-9-phenylcarbazole

C44H27N — CID 122434619

IUPAC4-(4-fluoranthen-3-ylnaphthalen-1-yl)-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3c(-c4ccc(-c5ccc6c7c(cccc57)-c5ccccc5-6)c5ccccc45)cccc32)cc1
InChIInChI=1S/C44H27N/c1-2-12-28(13-3-1)45-41-22-9-8-18-40(41)44-38(21-11-23-42(44)45)34-25-24-33(29-14-4-5-15-30(29)34)35-26-27-39-32-17-7-6-16-31(32)36-19-10-20-37(35)43(36)39/h1-27H
InChIKeyVMIYPOCYOWFWIQ-UHFFFAOYSA-N
MW569.71 g/mol
LogP12.07
Rot. Bonds3

About 4-(4-fluoranthen-3-ylnaphthalen-1-yl)-9-phenylcarbazole

4-(4-fluoranthen-3-ylnaphthalen-1-yl)-9-phenylcarbazole (PubChem CID 122434619) has the molecular formula C44H27N and a molecular weight of 569.71 g/mol. Its IUPAC name is 4-(4-fluoranthen-3-ylnaphthalen-1-yl)-9-phenylcarbazole.

Molecular Properties

Compound Name4-(4-fluoranthen-3-ylnaphthalen-1-yl)-9-phenylcarbazole
PubChem CID122434619
Molecular FormulaC44H27N
Molecular Weight569.71 g/mol
Exact Mass569.21
IUPAC Name4-(4-fluoranthen-3-ylnaphthalen-1-yl)-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3c(-c4ccc(-c5ccc6c7c(cccc57)-c5ccccc5-6)c5ccccc45)cccc32)cc1
InChIInChI=1S/C44H27N/c1-2-12-28(13-3-1)45-41-22-9-8-18-40(41)44-38(21-11-23-42(44)45)34-25-24-33(29-14-4-5-15-30(29)34)35-26-27-39-32-17-7-6-16-31(32)36-19-10-20-37(35)43(36)39/h1-27H
InChIKeyVMIYPOCYOWFWIQ-UHFFFAOYSA-N
XLogP12.07
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.71
LogP ≤ 512.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9-phenyl-4-[10-(9-phenylcarbazol-4-yl)perylen-3-yl]carbazole
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9-phenyl-3-[8-(9-phenylcarbazol-4-yl)fluoranthen-3-yl]carbazole
CID 122434651
4-[2-(3-chlorophenyl)phenyl]-9-phenylcarbazole
CID 176719063
5-[10-(6-hydroxy-9-phenylcarbazol-4-yl)perylen-3-yl]-9-phenylcarbazol-3-ol
CID 171053071
4-(9-naphthalen-2-ylcarbazol-4-yl)-9-phenylcarbazole
CID 134507252
3-[9-(4-fluoranthen-3-ylnaphthalen-1-yl)carbazol-3-yl]-9-phenylcarbazole
CID 71291329
4-phenyl-9-[2-[4-(9-phenylcarbazol-4-yl)phenyl]phenyl]carbazole
CID 166037163
9-(3,4-diphenylphenyl)-4-[9-(3,4-diphenylphenyl)carbazol-4-yl]carbazole
CID 165386118
4-(3-methyl-2-phenylphenyl)-9-phenylcarbazole
CID 146397332
4-benzo[c]phenanthren-5-yl-9-phenylcarbazole
CID 121287474
4-[10-(2,4-diphenylphenyl)-8-(9-phenylcarbazol-4-yl)anthracen-1-yl]-9-phenylcarbazole
CID 155334200
9-[4,5-bis(9-phenylcarbazol-4-yl)anthracen-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
CID 155333620

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoranthen-3-ylnaphthalen-1-yl)-9-phenylcarbazole?
The IUPAC name of 4-(4-fluoranthen-3-ylnaphthalen-1-yl)-9-phenylcarbazole (CID 122434619) is 4-(4-fluoranthen-3-ylnaphthalen-1-yl)-9-phenylcarbazole.
What is the SMILES notation for 4-(4-fluoranthen-3-ylnaphthalen-1-yl)-9-phenylcarbazole?
The canonical SMILES for 4-(4-fluoranthen-3-ylnaphthalen-1-yl)-9-phenylcarbazole is c1ccc(-n2c3ccccc3c3c(-c4ccc(-c5ccc6c7c(cccc57)-c5ccccc5-6)c5ccccc45)cccc32)cc1.
What is the InChIKey of 4-(4-fluoranthen-3-ylnaphthalen-1-yl)-9-phenylcarbazole?
The InChIKey is VMIYPOCYOWFWIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H27N/c1-2-12-28(13-3-1)45-41-22-9-8-18-40(41)44-38(21-11-23-42(44)45)34-25-24-33(29-14-4-5-15-30(29)34)35-26-27-39-32-17-7-6-16-31(32)36-19-10-20-37(35)43(36)39/h1-27H.
What are the key properties of 4-(4-fluoranthen-3-ylnaphthalen-1-yl)-9-phenylcarbazole?
4-(4-fluoranthen-3-ylnaphthalen-1-yl)-9-phenylcarbazole has a molecular weight of 569.71 g/mol, XLogP of 12.07, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoranthen-3-ylnaphthalen-1-yl)-9-phenylcarbazole is sourced from PubChem (CID 122434619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).