N-(12b,16a-dihydrotetraphenylen-2-yl)-N-phenyltetraphenylen-2-amine

C54H37N — CID 155029369

IUPACN-(12b,16a-dihydrotetraphenylen-2-yl)-N-phenyltetraphenylen-2-amine
SMILESC1=CC2c3ccccc3-c3ccccc3-c3ccc(N(c4ccccc4)c4ccc5c(c4)-c4ccccc4-c4ccccc4-c4ccccc4-5)cc3C2C=C1
InChIInChI=1S/C54H37N/c1-2-16-36(17-3-1)55(37-30-32-51-47-26-10-8-22-43(47)39-18-4-6-20-41(39)45-24-12-14-28-49(45)53(51)34-37)38-31-33-52-48-27-11-9-23-44(48)40-19-5-7-21-42(40)46-25-13-15-29-50(46)54(52)35-38/h1-35,45,49H/b44-40-,46-42-,52-48-,54-50-
InChIKeyQLLMUJOLRPJRIM-JXVUJHPISA-N
MW699.90 g/mol
LogP14.78
Rot. Bonds3

About N-(12b,16a-dihydrotetraphenylen-2-yl)-N-phenyltetraphenylen-2-amine

N-(12b,16a-dihydrotetraphenylen-2-yl)-N-phenyltetraphenylen-2-amine (PubChem CID 155029369) has the molecular formula C54H37N and a molecular weight of 699.90 g/mol. Its IUPAC name is N-(12b,16a-dihydrotetraphenylen-2-yl)-N-phenyltetraphenylen-2-amine.

Molecular Properties

Compound NameN-(12b,16a-dihydrotetraphenylen-2-yl)-N-phenyltetraphenylen-2-amine
PubChem CID155029369
Molecular FormulaC54H37N
Molecular Weight699.90 g/mol
Exact Mass699.29
IUPAC NameN-(12b,16a-dihydrotetraphenylen-2-yl)-N-phenyltetraphenylen-2-amine
SMILESC1=CC2c3ccccc3-c3ccccc3-c3ccc(N(c4ccccc4)c4ccc5c(c4)-c4ccccc4-c4ccccc4-c4ccccc4-5)cc3C2C=C1
InChIInChI=1S/C54H37N/c1-2-16-36(17-3-1)55(37-30-32-51-47-26-10-8-22-43(47)39-18-4-6-20-41(39)45-24-12-14-28-49(45)53(51)34-37)38-31-33-52-48-27-11-9-23-44(48)40-19-5-7-21-42(40)46-25-13-15-29-50(46)54(52)35-38/h1-35,45,49H/b44-40-,46-42-,52-48-,54-50-
InChIKeyQLLMUJOLRPJRIM-JXVUJHPISA-N
XLogP14.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500699.90
LogP ≤ 514.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-N,2-N,7-N,7-N-tetrakis(4-tert-butylphenyl)spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,9,11,15,17,19,21,24-undecaene]-2,7-diamine
CID 146587287
N,9-diphenyl-N-[3-[2-[3-(N-(9-phenyl-9H-fluoren-2-yl)anilino)phenyl]phenyl]phenyl]-9H-fluoren-2-amine
CID 129061482
9-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-9H-fluoren-2-amine
CID 129265016
N,N-diphenyl-6b,10a-dihydrofluoranthen-3-amine
CID 20654645
9-methyl-N,N-bis(4-methylphenyl)-9H-fluoren-2-amine
CID 18730181
N-[4-[2-[2-(2-methylphenyl)phenyl]phenyl]phenyl]-N-phenyltetraphenylen-2-amine
CID 137232562
N,N,3-triphenyl-4-[4-(N-phenylanilino)phenyl]aniline
CID 18780381
9-[3,5-bis[3,6-bis(N-phenylanilino)-9H-fluoren-9-yl]phenyl]-3-N,3-N,6-N,6-N-tetraphenyl-9H-fluorene-3,6-diamine
CID 101256601
N,N-bis(4-carbazol-9-ylphenyl)-9-phenyl-9H-fluoren-2-amine
CID 167110197
3-(4a,9a-dihydrocarbazol-9-yl)-N,N-bis(4-phenylphenyl)aniline
CID 155205314
11-N,11-N,17-N,17-N,14-pentakis-phenyl-14-boratetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene-11,17-diamine
CID 140863423
N-fluoranthen-8-yl-N-phenylpyridin-3-amine
CID 118410662

Frequently Asked Questions

What is the IUPAC name of N-(12b,16a-dihydrotetraphenylen-2-yl)-N-phenyltetraphenylen-2-amine?
The IUPAC name of N-(12b,16a-dihydrotetraphenylen-2-yl)-N-phenyltetraphenylen-2-amine (CID 155029369) is N-(12b,16a-dihydrotetraphenylen-2-yl)-N-phenyltetraphenylen-2-amine.
What is the SMILES notation for N-(12b,16a-dihydrotetraphenylen-2-yl)-N-phenyltetraphenylen-2-amine?
The canonical SMILES for N-(12b,16a-dihydrotetraphenylen-2-yl)-N-phenyltetraphenylen-2-amine is C1=CC2c3ccccc3-c3ccccc3-c3ccc(N(c4ccccc4)c4ccc5c(c4)-c4ccccc4-c4ccccc4-c4ccccc4-5)cc3C2C=C1.
What is the InChIKey of N-(12b,16a-dihydrotetraphenylen-2-yl)-N-phenyltetraphenylen-2-amine?
The InChIKey is QLLMUJOLRPJRIM-JXVUJHPISA-N. The full InChI is InChI=1S/C54H37N/c1-2-16-36(17-3-1)55(37-30-32-51-47-26-10-8-22-43(47)39-18-4-6-20-41(39)45-24-12-14-28-49(45)53(51)34-37)38-31-33-52-48-27-11-9-23-44(48)40-19-5-7-21-42(40)46-25-13-15-29-50(46)54(52)35-38/h1-35,45,49H/b44-40-,46-42-,52-48-,54-50-.
What are the key properties of N-(12b,16a-dihydrotetraphenylen-2-yl)-N-phenyltetraphenylen-2-amine?
N-(12b,16a-dihydrotetraphenylen-2-yl)-N-phenyltetraphenylen-2-amine has a molecular weight of 699.90 g/mol, XLogP of 14.78, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(12b,16a-dihydrotetraphenylen-2-yl)-N-phenyltetraphenylen-2-amine is sourced from PubChem (CID 155029369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).