1-(1-fluorocyclohexyl)-10-[4-(9-phenylcarbazol-3-yl)phenyl]-9H-acridine

C43H35FN2 — CID 170119174

IUPAC1-(1-fluorocyclohexyl)-10-[4-(9-phenylcarbazol-3-yl)phenyl]-9H-acridine
SMILESFC1(c2cccc3c2Cc2ccccc2N3c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)CCCCC1
InChIInChI=1S/C43H35FN2/c44-43(26-9-2-10-27-43)38-16-11-19-41-37(38)29-32-12-5-7-17-39(32)45(41)34-23-20-30(21-24-34)31-22-25-42-36(28-31)35-15-6-8-18-40(35)46(42)33-13-3-1-4-14-33/h1,3-8,11-25,28H,2,9-10,26-27,29H2
InChIKeyMPQKENLLZMFLMK-UHFFFAOYSA-N
MW598.77 g/mol
LogP11.95
Rot. Bonds4

About 1-(1-fluorocyclohexyl)-10-[4-(9-phenylcarbazol-3-yl)phenyl]-9H-acridine

1-(1-fluorocyclohexyl)-10-[4-(9-phenylcarbazol-3-yl)phenyl]-9H-acridine (PubChem CID 170119174) has the molecular formula C43H35FN2 and a molecular weight of 598.77 g/mol. Its IUPAC name is 1-(1-fluorocyclohexyl)-10-[4-(9-phenylcarbazol-3-yl)phenyl]-9H-acridine.

Molecular Properties

Compound Name1-(1-fluorocyclohexyl)-10-[4-(9-phenylcarbazol-3-yl)phenyl]-9H-acridine
PubChem CID170119174
Molecular FormulaC43H35FN2
Molecular Weight598.77 g/mol
Exact Mass598.28
IUPAC Name1-(1-fluorocyclohexyl)-10-[4-(9-phenylcarbazol-3-yl)phenyl]-9H-acridine
SMILESFC1(c2cccc3c2Cc2ccccc2N3c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)CCCCC1
InChIInChI=1S/C43H35FN2/c44-43(26-9-2-10-27-43)38-16-11-19-41-37(38)29-32-12-5-7-17-39(32)45(41)34-23-20-30(21-24-34)31-22-25-42-36(28-31)35-15-6-8-18-40(35)46(42)33-13-3-1-4-14-33/h1,3-8,11-25,28H,2,9-10,26-27,29H2
InChIKeyMPQKENLLZMFLMK-UHFFFAOYSA-N
XLogP11.95
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.77
LogP ≤ 511.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

10-naphthalen-1-yl-2-[4-(3-phenylcarbazol-9-yl)phenyl]-9H-acridine;2-naphthalen-2-yl-10-phenyl-7-[4-(3-phenylcarbazol-9-yl)phenyl]-9H-acridine;10-naphthalen-1-yl-2-phenyl-7-[4-(3-phenylcarbazol-9-yl)phenyl]-9H-acridine
CID 159385885
5-phenyl-2-[10-phenyl-8-(9-phenylcarbazol-3-yl)-9H-acridin-2-yl]phenanthridin-6-one
CID 90379878
9-phenyl-9-(9-phenylcarbazol-3-yl)-10-[4-(9-phenylcarbazol-3-yl)phenyl]acridine
CID 146511276
3-(4-carbazol-9-ylphenyl)-9-phenylcarbazole
CID 20685483
3-[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 90085403
7-[4-(10',19-diphenylspiro[11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene-15,9'-acridine]-11-yl)phenyl]-10'-phenyl-11-[3-(4-phenylphenyl)phenyl]-19-[4-(4-phenylphenyl)phenyl]spiro[11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5(10),6,8,12,17,20,22,24,26-dodecaene-15,9'-acridine]
CID 139524634
3-(9-phenylcarbazol-3-yl)-9-[4-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590601
10-phenyl-3'-[9-(4-phenylphenyl)carbazol-3-yl]spiro[acridine-9,9'-fluorene]
CID 163947918
9-phenyl-3-[4-[3-(4-phenylphenyl)carbazol-9-yl]phenyl]carbazole
CID 126682013
3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158377312
3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 118268216
3-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3,9-diphenyl-6-(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158667860

Frequently Asked Questions

What is the IUPAC name of 1-(1-fluorocyclohexyl)-10-[4-(9-phenylcarbazol-3-yl)phenyl]-9H-acridine?
The IUPAC name of 1-(1-fluorocyclohexyl)-10-[4-(9-phenylcarbazol-3-yl)phenyl]-9H-acridine (CID 170119174) is 1-(1-fluorocyclohexyl)-10-[4-(9-phenylcarbazol-3-yl)phenyl]-9H-acridine.
What is the SMILES notation for 1-(1-fluorocyclohexyl)-10-[4-(9-phenylcarbazol-3-yl)phenyl]-9H-acridine?
The canonical SMILES for 1-(1-fluorocyclohexyl)-10-[4-(9-phenylcarbazol-3-yl)phenyl]-9H-acridine is FC1(c2cccc3c2Cc2ccccc2N3c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)CCCCC1.
What is the InChIKey of 1-(1-fluorocyclohexyl)-10-[4-(9-phenylcarbazol-3-yl)phenyl]-9H-acridine?
The InChIKey is MPQKENLLZMFLMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H35FN2/c44-43(26-9-2-10-27-43)38-16-11-19-41-37(38)29-32-12-5-7-17-39(32)45(41)34-23-20-30(21-24-34)31-22-25-42-36(28-31)35-15-6-8-18-40(35)46(42)33-13-3-1-4-14-33/h1,3-8,11-25,28H,2,9-10,26-27,29H2.
What are the key properties of 1-(1-fluorocyclohexyl)-10-[4-(9-phenylcarbazol-3-yl)phenyl]-9H-acridine?
1-(1-fluorocyclohexyl)-10-[4-(9-phenylcarbazol-3-yl)phenyl]-9H-acridine has a molecular weight of 598.77 g/mol, XLogP of 11.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-fluorocyclohexyl)-10-[4-(9-phenylcarbazol-3-yl)phenyl]-9H-acridine is sourced from PubChem (CID 170119174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).