4-methyl-4-[3-[9-(8-methyl-8,9-dihydro-[1]benzofuro[3,2-d]pyrimidin-4-yl)carbazol-1-yl]carbazol-9-yl]-N,N-diphenylcyclohexa-1,5-dien-1-amine

C54H41N5O — CID 163944676

IUPAC4-methyl-4-[3-[9-(8-methyl-8,9-dihydro-[1]benzofuro[3,2-d]pyrimidin-4-yl)carbazol-1-yl]carbazol-9-yl]-N,N-diphenylcyclohexa-1,5-dien-1-amine
SMILESCC1C=Cc2oc3c(-n4c5ccccc5c5cccc(-c6ccc7c(c6)c6ccccc6n7C6(C)C=CC(N(c7ccccc7)c7ccccc7)=CC6)c54)ncnc3c2C1
InChIInChI=1S/C54H41N5O/c1-35-24-27-49-45(32-35)50-52(60-49)53(56-34-55-50)58-46-22-11-9-18-41(46)43-21-13-20-40(51(43)58)36-25-26-48-44(33-36)42-19-10-12-23-47(42)59(48)54(2)30-28-39(29-31-54)57(37-14-5-3-6-15-37)38-16-7-4-8-17-38/h3-30,33-35H,31-32H2,1-2H3
InChIKeyRUBGREYWZLMVOO-UHFFFAOYSA-N
MW775.96 g/mol
LogP13.70
Rot. Bonds6

About 4-methyl-4-[3-[9-(8-methyl-8,9-dihydro-[1]benzofuro[3,2-d]pyrimidin-4-yl)carbazol-1-yl]carbazol-9-yl]-N,N-diphenylcyclohexa-1,5-dien-1-amine

4-methyl-4-[3-[9-(8-methyl-8,9-dihydro-[1]benzofuro[3,2-d]pyrimidin-4-yl)carbazol-1-yl]carbazol-9-yl]-N,N-diphenylcyclohexa-1,5-dien-1-amine (PubChem CID 163944676) has the molecular formula C54H41N5O and a molecular weight of 775.96 g/mol. Its IUPAC name is 4-methyl-4-[3-[9-(8-methyl-8,9-dihydro-[1]benzofuro[3,2-d]pyrimidin-4-yl)carbazol-1-yl]carbazol-9-yl]-N,N-diphenylcyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name4-methyl-4-[3-[9-(8-methyl-8,9-dihydro-[1]benzofuro[3,2-d]pyrimidin-4-yl)carbazol-1-yl]carbazol-9-yl]-N,N-diphenylcyclohexa-1,5-dien-1-amine
PubChem CID163944676
Molecular FormulaC54H41N5O
Molecular Weight775.96 g/mol
Exact Mass775.33
IUPAC Name4-methyl-4-[3-[9-(8-methyl-8,9-dihydro-[1]benzofuro[3,2-d]pyrimidin-4-yl)carbazol-1-yl]carbazol-9-yl]-N,N-diphenylcyclohexa-1,5-dien-1-amine
SMILESCC1C=Cc2oc3c(-n4c5ccccc5c5cccc(-c6ccc7c(c6)c6ccccc6n7C6(C)C=CC(N(c7ccccc7)c7ccccc7)=CC6)c54)ncnc3c2C1
InChIInChI=1S/C54H41N5O/c1-35-24-27-49-45(32-35)50-52(60-49)53(56-34-55-50)58-46-22-11-9-18-41(46)43-21-13-20-40(51(43)58)36-25-26-48-44(33-36)42-19-10-12-23-47(42)59(48)54(2)30-28-39(29-31-54)57(37-14-5-3-6-15-37)38-16-7-4-8-17-38/h3-30,33-35H,31-32H2,1-2H3
InChIKeyRUBGREYWZLMVOO-UHFFFAOYSA-N
XLogP13.70
TPSA52.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500775.96
LogP ≤ 513.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-methyl-4-[3-[9-(8-methyl-8,9-dihydro-[1]benzofuro[3,2-d]pyrimidin-4-yl)carbazol-1-yl]carbazol-9-yl]-N,N-diphenylcyclohexa-1,5-dien-1-amine with MolForge

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Related Compounds

N-[4-(7-methyl-7,8-dihydronaphthalen-1-yl)phenyl]-4-phenyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline
CID 143813883
3-N-(7-methyl-6,7-dihydrodibenzothiophen-3-yl)-1-N,3-N,5-N,5-N-tetraphenyl-1-N-[9-phenyl-8-[3-(N-[3-(N-phenylanilino)-5-(4-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]anilino)phenyl]carbazol-2-yl]benzene-1,3,5-triamine
CID 163835888
4-carbazol-9-yl-8-(3-dibenzothiophen-4-ylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 129291441
8-(4-carbazol-9-ylphenyl)-4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]-[1]benzofuro[3,2-d]pyrimidine
CID 135163792
4-carbazol-9-yl-6-(3-carbazol-9-ylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 129291442
1-[4-[3-methyl-5-(8-methyl-8,9-dihydrodibenzofuran-3-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 146440270
N-[4-[9-([1]benzofuro[3,2-d]pyrimidin-4-yl)-4b,5,6,7,8,8a-hexahydrocarbazol-3-yl]phenyl]-N-phenyldibenzofuran-2-amine;bis(4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-[1]benzofuro[3,2-d]pyrimidine)
CID 161332520
N,N-diphenyl-4-[6-(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]aniline
CID 90125795
N-cyclohexa-1,5-dien-1-yl-N-phenyl-9-[2-[4-phenyl-6-[2-[3-(N-phenylanilino)carbazol-9-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]carbazol-3-amine
CID 145163384
9,9-dimethyl-N-(4-methyl-4-phenylcyclohexa-1,5-dien-1-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 137484612
5-(N-(4-methylcyclohexa-1,5-dien-1-yl)anilino)-17-(N-(9-phenylcarbazol-3-yl)anilino)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-8,14-dione
CID 163669899
4-[8-[3-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-1-yl]-8-[3-(3-phenylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 168826475

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-[3-[9-(8-methyl-8,9-dihydro-[1]benzofuro[3,2-d]pyrimidin-4-yl)carbazol-1-yl]carbazol-9-yl]-N,N-diphenylcyclohexa-1,5-dien-1-amine?
The IUPAC name of 4-methyl-4-[3-[9-(8-methyl-8,9-dihydro-[1]benzofuro[3,2-d]pyrimidin-4-yl)carbazol-1-yl]carbazol-9-yl]-N,N-diphenylcyclohexa-1,5-dien-1-amine (CID 163944676) is 4-methyl-4-[3-[9-(8-methyl-8,9-dihydro-[1]benzofuro[3,2-d]pyrimidin-4-yl)carbazol-1-yl]carbazol-9-yl]-N,N-diphenylcyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 4-methyl-4-[3-[9-(8-methyl-8,9-dihydro-[1]benzofuro[3,2-d]pyrimidin-4-yl)carbazol-1-yl]carbazol-9-yl]-N,N-diphenylcyclohexa-1,5-dien-1-amine?
The canonical SMILES for 4-methyl-4-[3-[9-(8-methyl-8,9-dihydro-[1]benzofuro[3,2-d]pyrimidin-4-yl)carbazol-1-yl]carbazol-9-yl]-N,N-diphenylcyclohexa-1,5-dien-1-amine is CC1C=Cc2oc3c(-n4c5ccccc5c5cccc(-c6ccc7c(c6)c6ccccc6n7C6(C)C=CC(N(c7ccccc7)c7ccccc7)=CC6)c54)ncnc3c2C1.
What is the InChIKey of 4-methyl-4-[3-[9-(8-methyl-8,9-dihydro-[1]benzofuro[3,2-d]pyrimidin-4-yl)carbazol-1-yl]carbazol-9-yl]-N,N-diphenylcyclohexa-1,5-dien-1-amine?
The InChIKey is RUBGREYWZLMVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H41N5O/c1-35-24-27-49-45(32-35)50-52(60-49)53(56-34-55-50)58-46-22-11-9-18-41(46)43-21-13-20-40(51(43)58)36-25-26-48-44(33-36)42-19-10-12-23-47(42)59(48)54(2)30-28-39(29-31-54)57(37-14-5-3-6-15-37)38-16-7-4-8-17-38/h3-30,33-35H,31-32H2,1-2H3.
What are the key properties of 4-methyl-4-[3-[9-(8-methyl-8,9-dihydro-[1]benzofuro[3,2-d]pyrimidin-4-yl)carbazol-1-yl]carbazol-9-yl]-N,N-diphenylcyclohexa-1,5-dien-1-amine?
4-methyl-4-[3-[9-(8-methyl-8,9-dihydro-[1]benzofuro[3,2-d]pyrimidin-4-yl)carbazol-1-yl]carbazol-9-yl]-N,N-diphenylcyclohexa-1,5-dien-1-amine has a molecular weight of 775.96 g/mol, XLogP of 13.70, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-[3-[9-(8-methyl-8,9-dihydro-[1]benzofuro[3,2-d]pyrimidin-4-yl)carbazol-1-yl]carbazol-9-yl]-N,N-diphenylcyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 163944676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).