2-carbazol-9-yl-4'-naphthalen-1-yl-2'-phenylspiro[fluorene-9,9'-indeno[2,1-d]pyrimidine]

C51H31N3 — CID 122551760

IUPAC2-carbazol-9-yl-4'-naphthalen-1-yl-2'-phenylspiro[fluorene-9,9'-indeno[2,1-d]pyrimidine]
SMILESc1ccc(-c2nc(-c3cccc4ccccc34)c3c(n2)C2(c4ccccc4-c4ccc(-n5c6ccccc6c6ccccc65)cc42)c2ccccc2-3)cc1
InChIInChI=1S/C51H31N3/c1-2-16-33(17-3-1)50-52-48(40-24-14-18-32-15-4-5-19-35(32)40)47-41-23-7-11-26-43(41)51(49(47)53-50)42-25-10-6-20-36(42)37-30-29-34(31-44(37)51)54-45-27-12-8-21-38(45)39-22-9-13-28-46(39)54/h1-31H
InChIKeyFHVUDZSQRIUBNB-UHFFFAOYSA-N
MW685.83 g/mol
LogP12.40
Rot. Bonds3

About 2-carbazol-9-yl-4'-naphthalen-1-yl-2'-phenylspiro[fluorene-9,9'-indeno[2,1-d]pyrimidine]

2-carbazol-9-yl-4'-naphthalen-1-yl-2'-phenylspiro[fluorene-9,9'-indeno[2,1-d]pyrimidine] (PubChem CID 122551760) has the molecular formula C51H31N3 and a molecular weight of 685.83 g/mol. Its IUPAC name is 2-carbazol-9-yl-4'-naphthalen-1-yl-2'-phenylspiro[fluorene-9,9'-indeno[2,1-d]pyrimidine].

Molecular Properties

Compound Name2-carbazol-9-yl-4'-naphthalen-1-yl-2'-phenylspiro[fluorene-9,9'-indeno[2,1-d]pyrimidine]
PubChem CID122551760
Molecular FormulaC51H31N3
Molecular Weight685.83 g/mol
Exact Mass685.25
IUPAC Name2-carbazol-9-yl-4'-naphthalen-1-yl-2'-phenylspiro[fluorene-9,9'-indeno[2,1-d]pyrimidine]
SMILESc1ccc(-c2nc(-c3cccc4ccccc34)c3c(n2)C2(c4ccccc4-c4ccc(-n5c6ccccc6c6ccccc65)cc42)c2ccccc2-3)cc1
InChIInChI=1S/C51H31N3/c1-2-16-33(17-3-1)50-52-48(40-24-14-18-32-15-4-5-19-35(32)40)47-41-23-7-11-26-43(41)51(49(47)53-50)42-25-10-6-20-36(42)37-30-29-34(31-44(37)51)54-45-27-12-8-21-38(45)39-22-9-13-28-46(39)54/h1-31H
InChIKeyFHVUDZSQRIUBNB-UHFFFAOYSA-N
XLogP12.40
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500685.83
LogP ≤ 512.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4'-naphthalen-1-yl-7'-(4-naphthalen-2-ylphenyl)-2'-phenylspiro[fluorene-9,9'-indeno[2,1-d]pyrimidine]
CID 118527726
9-[4'-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2-yl]carbazole
CID 168836616
4'-naphthalen-1-yl-2'-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,5'-indeno[1,2-d]pyrimidine];4'-naphthalen-1-yl-2'-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-indeno[2,1-d]pyrimidine];4'-naphthalen-1-yl-2'-phenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-indeno[2,1-d]pyrimidine]
CID 159294131
9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,3'-hexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene]-2-yl]carbazole
CID 134167921
4-(4'-naphthalen-1-yl-2'-phenylspiro[fluorene-9,9'-indeno[2,1-d]pyrimidine]-2-yl)-N,N-diphenylbenzeneamine oxide
CID 129084864
9-[2-[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]-9,9'-spirobi[fluorene]-2'-yl]carbazole
CID 88887022
4'-(4-carbazol-9-ylphenyl)-2'-phenylspiro[fluorene-9,5'-indeno[1,2-d]pyrimidine]
CID 118527794
12-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-11-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 88886982
12-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-7'-(11-phenylindolo[2,3-a]carbazol-12-yl)-9,9'-spirobi[fluorene]-2'-yl]-11-phenylindolo[2,3-a]carbazole
CID 88886983
9-[3-[2-phenyl-6-(3-spiro[benzo[a]fluorene-11,9'-fluorene]-6-ylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 165152012
5-[4-(9,9-dimethyl-2-phenylindeno[2,1-d]pyrimidin-4-yl)phenyl]-7-phenylindolo[2,3-b]carbazole
CID 130334179
9-[4-(2'-carbazol-9-yl-9,9'-spirobi[fluorene]-2-yl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]carbazole
CID 88886986

Frequently Asked Questions

What is the IUPAC name of 2-carbazol-9-yl-4'-naphthalen-1-yl-2'-phenylspiro[fluorene-9,9'-indeno[2,1-d]pyrimidine]?
The IUPAC name of 2-carbazol-9-yl-4'-naphthalen-1-yl-2'-phenylspiro[fluorene-9,9'-indeno[2,1-d]pyrimidine] (CID 122551760) is 2-carbazol-9-yl-4'-naphthalen-1-yl-2'-phenylspiro[fluorene-9,9'-indeno[2,1-d]pyrimidine].
What is the SMILES notation for 2-carbazol-9-yl-4'-naphthalen-1-yl-2'-phenylspiro[fluorene-9,9'-indeno[2,1-d]pyrimidine]?
The canonical SMILES for 2-carbazol-9-yl-4'-naphthalen-1-yl-2'-phenylspiro[fluorene-9,9'-indeno[2,1-d]pyrimidine] is c1ccc(-c2nc(-c3cccc4ccccc34)c3c(n2)C2(c4ccccc4-c4ccc(-n5c6ccccc6c6ccccc65)cc42)c2ccccc2-3)cc1.
What is the InChIKey of 2-carbazol-9-yl-4'-naphthalen-1-yl-2'-phenylspiro[fluorene-9,9'-indeno[2,1-d]pyrimidine]?
The InChIKey is FHVUDZSQRIUBNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H31N3/c1-2-16-33(17-3-1)50-52-48(40-24-14-18-32-15-4-5-19-35(32)40)47-41-23-7-11-26-43(41)51(49(47)53-50)42-25-10-6-20-36(42)37-30-29-34(31-44(37)51)54-45-27-12-8-21-38(45)39-22-9-13-28-46(39)54/h1-31H.
What are the key properties of 2-carbazol-9-yl-4'-naphthalen-1-yl-2'-phenylspiro[fluorene-9,9'-indeno[2,1-d]pyrimidine]?
2-carbazol-9-yl-4'-naphthalen-1-yl-2'-phenylspiro[fluorene-9,9'-indeno[2,1-d]pyrimidine] has a molecular weight of 685.83 g/mol, XLogP of 12.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbazol-9-yl-4'-naphthalen-1-yl-2'-phenylspiro[fluorene-9,9'-indeno[2,1-d]pyrimidine] is sourced from PubChem (CID 122551760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).