2-N-(3-methylcyclohexa-1,5-dien-1-yl)-2-N,4-N,4-N,9-tetraphenyl-9-[3-(7-phenylbenzo[c]fluoren-7-yl)phenyl]fluorene-2,4-diamine

C73H54N2 — CID 118204330

IUPAC2-N-(3-methylcyclohexa-1,5-dien-1-yl)-2-N,4-N,4-N,9-tetraphenyl-9-[3-(7-phenylbenzo[c]fluoren-7-yl)phenyl]fluorene-2,4-diamine
SMILESCC1C=C(N(c2ccccc2)c2cc(N(c3ccccc3)c3ccccc3)c3c(c2)C(c2ccccc2)(c2cccc(C4(c5ccccc5)c5ccccc5-c5c4ccc4ccccc54)c2)c2ccccc2-3)C=CC1
InChIInChI=1S/C73H54N2/c1-51-25-23-39-60(47-51)74(57-33-11-4-12-34-57)61-49-68-71(69(50-61)75(58-35-13-5-14-36-58)59-37-15-6-16-38-59)64-42-20-22-44-66(64)73(68,54-29-9-3-10-30-54)56-32-24-31-55(48-56)72(53-27-7-2-8-28-53)65-43-21-19-41-63(65)70-62-40-18-17-26-52(62)45-46-67(70)72/h2-24,26-51H,25H2,1H3
InChIKeyQMQLNJDZSQZWPE-UHFFFAOYSA-N
MW959.25 g/mol
LogP18.65
Rot. Bonds10

About 2-N-(3-methylcyclohexa-1,5-dien-1-yl)-2-N,4-N,4-N,9-tetraphenyl-9-[3-(7-phenylbenzo[c]fluoren-7-yl)phenyl]fluorene-2,4-diamine

2-N-(3-methylcyclohexa-1,5-dien-1-yl)-2-N,4-N,4-N,9-tetraphenyl-9-[3-(7-phenylbenzo[c]fluoren-7-yl)phenyl]fluorene-2,4-diamine (PubChem CID 118204330) has the molecular formula C73H54N2 and a molecular weight of 959.25 g/mol. Its IUPAC name is 2-N-(3-methylcyclohexa-1,5-dien-1-yl)-2-N,4-N,4-N,9-tetraphenyl-9-[3-(7-phenylbenzo[c]fluoren-7-yl)phenyl]fluorene-2,4-diamine.

Molecular Properties

Compound Name2-N-(3-methylcyclohexa-1,5-dien-1-yl)-2-N,4-N,4-N,9-tetraphenyl-9-[3-(7-phenylbenzo[c]fluoren-7-yl)phenyl]fluorene-2,4-diamine
PubChem CID118204330
Molecular FormulaC73H54N2
Molecular Weight959.25 g/mol
Exact Mass958.43
IUPAC Name2-N-(3-methylcyclohexa-1,5-dien-1-yl)-2-N,4-N,4-N,9-tetraphenyl-9-[3-(7-phenylbenzo[c]fluoren-7-yl)phenyl]fluorene-2,4-diamine
SMILESCC1C=C(N(c2ccccc2)c2cc(N(c3ccccc3)c3ccccc3)c3c(c2)C(c2ccccc2)(c2cccc(C4(c5ccccc5)c5ccccc5-c5c4ccc4ccccc54)c2)c2ccccc2-3)C=CC1
InChIInChI=1S/C73H54N2/c1-51-25-23-39-60(47-51)74(57-33-11-4-12-34-57)61-49-68-71(69(50-61)75(58-35-13-5-14-36-58)59-37-15-6-16-38-59)64-42-20-22-44-66(64)73(68,54-29-9-3-10-30-54)56-32-24-31-55(48-56)72(53-27-7-2-8-28-53)65-43-21-19-41-63(65)70-62-40-18-17-26-52(62)45-46-67(70)72/h2-24,26-51H,25H2,1H3
InChIKeyQMQLNJDZSQZWPE-UHFFFAOYSA-N
XLogP18.65
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500959.25
LogP ≤ 518.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-N-(3-methylcyclohexa-1,5-dien-1-yl)-2-N,4-N,4-N,9-tetraphenyl-9-[3-(7-phenylbenzo[c]fluoren-7-yl)phenyl]fluorene-2,4-diamine with MolForge

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Related Compounds

N-[4-[9-(11,11-dimethylbenzo[b]fluoren-2-yl)fluoren-9-yl]phenyl]-9,9-dimethyl-N-(3-methylcyclohexa-1,5-dien-1-yl)fluoren-2-amine
CID 163446399
9-(9,9-dimethylfluoren-3-yl)-2-N,2-N,4-N,4-N,9-pentakis-phenylfluorene-2,4-diamine
CID 118004667
1-N-[4-[(3-methylcyclohexa-1,5-dien-1-yl)-naphthalen-2-ylamino]phenyl]-4-N-naphthalen-2-yl-1-N-[4-(N-naphthalen-2-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine
CID 166657814
7,7-diphenyl-N,N-bis(4-phenylphenyl)benzo[c]fluoren-4-amine;N-(9,9-diphenylfluoren-2-yl)-N,7,7-triphenylbenzo[c]fluoren-11-amine;N,N,7,7-tetraphenylbenzo[c]fluoren-4-amine;N,7,7-triphenyl-N-(4-phenylphenyl)benzo[c]fluoren-4-amine
CID 160577595
N-(3-methylcyclohexa-1,5-dien-1-yl)-9,9-diphenyl-N-[3-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine
CID 145232530
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-fluorene]-9-amine;N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-fluorene]-9-amine;N-(3-phenylphenyl)-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-fluorene]-9-amine
CID 159953736
4-N-(4a,8a-dihydronaphthalen-2-yl)-1-N-methyl-1-N,4-N-diphenylbenzene-1,4-diamine;1-N-(9,9-diphenylfluoren-2-yl)-1-N-methyl-4-N,4-N-diphenylbenzene-1,4-diamine;1-N-methyl-4-N,4-N-diphenyl-1-N-(9,9'-spirobi[fluorene]-2-yl)benzene-1,4-diamine;1-N-methyl-4-N-naphthalen-1-yl-1-N,4-N-diphenylbenzene-1,4-diamine
CID 161106770
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 169020362
N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-[4-(2-phenylphenyl)phenyl]fluoren-4-amine
CID 169020437
2-N,2-N,4-N,4-N,9-pentakis-phenyl-9-(9-phenylcarbazol-3-yl)fluorene-2,4-diamine
CID 118204439
N-naphthalen-2-yl-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-4-amine
CID 121464393
6-N-(9,9-diphenylfluoren-3-yl)-4-N',4-N',6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-4',6-diamine
CID 168775466

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-methylcyclohexa-1,5-dien-1-yl)-2-N,4-N,4-N,9-tetraphenyl-9-[3-(7-phenylbenzo[c]fluoren-7-yl)phenyl]fluorene-2,4-diamine?
The IUPAC name of 2-N-(3-methylcyclohexa-1,5-dien-1-yl)-2-N,4-N,4-N,9-tetraphenyl-9-[3-(7-phenylbenzo[c]fluoren-7-yl)phenyl]fluorene-2,4-diamine (CID 118204330) is 2-N-(3-methylcyclohexa-1,5-dien-1-yl)-2-N,4-N,4-N,9-tetraphenyl-9-[3-(7-phenylbenzo[c]fluoren-7-yl)phenyl]fluorene-2,4-diamine.
What is the SMILES notation for 2-N-(3-methylcyclohexa-1,5-dien-1-yl)-2-N,4-N,4-N,9-tetraphenyl-9-[3-(7-phenylbenzo[c]fluoren-7-yl)phenyl]fluorene-2,4-diamine?
The canonical SMILES for 2-N-(3-methylcyclohexa-1,5-dien-1-yl)-2-N,4-N,4-N,9-tetraphenyl-9-[3-(7-phenylbenzo[c]fluoren-7-yl)phenyl]fluorene-2,4-diamine is CC1C=C(N(c2ccccc2)c2cc(N(c3ccccc3)c3ccccc3)c3c(c2)C(c2ccccc2)(c2cccc(C4(c5ccccc5)c5ccccc5-c5c4ccc4ccccc54)c2)c2ccccc2-3)C=CC1.
What is the InChIKey of 2-N-(3-methylcyclohexa-1,5-dien-1-yl)-2-N,4-N,4-N,9-tetraphenyl-9-[3-(7-phenylbenzo[c]fluoren-7-yl)phenyl]fluorene-2,4-diamine?
The InChIKey is QMQLNJDZSQZWPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H54N2/c1-51-25-23-39-60(47-51)74(57-33-11-4-12-34-57)61-49-68-71(69(50-61)75(58-35-13-5-14-36-58)59-37-15-6-16-38-59)64-42-20-22-44-66(64)73(68,54-29-9-3-10-30-54)56-32-24-31-55(48-56)72(53-27-7-2-8-28-53)65-43-21-19-41-63(65)70-62-40-18-17-26-52(62)45-46-67(70)72/h2-24,26-51H,25H2,1H3.
What are the key properties of 2-N-(3-methylcyclohexa-1,5-dien-1-yl)-2-N,4-N,4-N,9-tetraphenyl-9-[3-(7-phenylbenzo[c]fluoren-7-yl)phenyl]fluorene-2,4-diamine?
2-N-(3-methylcyclohexa-1,5-dien-1-yl)-2-N,4-N,4-N,9-tetraphenyl-9-[3-(7-phenylbenzo[c]fluoren-7-yl)phenyl]fluorene-2,4-diamine has a molecular weight of 959.25 g/mol, XLogP of 18.65, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-methylcyclohexa-1,5-dien-1-yl)-2-N,4-N,4-N,9-tetraphenyl-9-[3-(7-phenylbenzo[c]fluoren-7-yl)phenyl]fluorene-2,4-diamine is sourced from PubChem (CID 118204330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).