10,10-dimethyl-14-N,21-N-bis(2-phenylphenyl)-14-N,21-N-bis(3-phenylphenyl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene-14,21-diamine

C71H52N2 — CID 88555499

IUPAC10,10-dimethyl-14-N,21-N-bis(2-phenylphenyl)-14-N,21-N-bis(3-phenylphenyl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene-14,21-diamine
SMILESCC1(C)c2ccccc2-c2cc3c(N(c4cccc(-c5ccccc5)c4)c4ccccc4-c4ccccc4)c4ccccc4c(N(c4cccc(-c5ccccc5)c4)c4ccccc4-c4ccccc4)c3cc21
InChIInChI=1S/C71H52N2/c1-71(2)65-42-20-17-39-59(65)62-47-63-64(48-66(62)71)70(73(56-36-24-34-54(46-56)50-27-9-4-10-28-50)68-44-22-19-38-58(68)52-31-13-6-14-32-52)61-41-16-15-40-60(61)69(63)72(55-35-23-33-53(45-55)49-25-7-3-8-26-49)67-43-21-18-37-57(67)51-29-11-5-12-30-51/h3-48H,1-2H3
InChIKeyKZZKNBRZFCLVBK-UHFFFAOYSA-N
MW933.21 g/mol
LogP19.91
Rot. Bonds10

About 10,10-dimethyl-14-N,21-N-bis(2-phenylphenyl)-14-N,21-N-bis(3-phenylphenyl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene-14,21-diamine

10,10-dimethyl-14-N,21-N-bis(2-phenylphenyl)-14-N,21-N-bis(3-phenylphenyl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene-14,21-diamine (PubChem CID 88555499) has the molecular formula C71H52N2 and a molecular weight of 933.21 g/mol. Its IUPAC name is 10,10-dimethyl-14-N,21-N-bis(2-phenylphenyl)-14-N,21-N-bis(3-phenylphenyl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene-14,21-diamine.

Molecular Properties

Compound Name10,10-dimethyl-14-N,21-N-bis(2-phenylphenyl)-14-N,21-N-bis(3-phenylphenyl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene-14,21-diamine
PubChem CID88555499
Molecular FormulaC71H52N2
Molecular Weight933.21 g/mol
Exact Mass932.41
IUPAC Name10,10-dimethyl-14-N,21-N-bis(2-phenylphenyl)-14-N,21-N-bis(3-phenylphenyl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene-14,21-diamine
SMILESCC1(C)c2ccccc2-c2cc3c(N(c4cccc(-c5ccccc5)c4)c4ccccc4-c4ccccc4)c4ccccc4c(N(c4cccc(-c5ccccc5)c4)c4ccccc4-c4ccccc4)c3cc21
InChIInChI=1S/C71H52N2/c1-71(2)65-42-20-17-39-59(65)62-47-63-64(48-66(62)71)70(73(56-36-24-34-54(46-56)50-27-9-4-10-28-50)68-44-22-19-38-58(68)52-31-13-6-14-32-52)61-41-16-15-40-60(61)69(63)72(55-35-23-33-53(45-55)49-25-7-3-8-26-49)67-43-21-18-37-57(67)51-29-11-5-12-30-51/h3-48H,1-2H3
InChIKeyKZZKNBRZFCLVBK-UHFFFAOYSA-N
XLogP19.91
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500933.21
LogP ≤ 519.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diaminobenzene_3', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 10,10-dimethyl-14-N,21-N-bis(2-phenylphenyl)-14-N,21-N-bis(3-phenylphenyl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene-14,21-diamine with MolForge

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Related Compounds

10,10-dimethyl-7-N,14-N,21-N-tris(2-phenylphenyl)-7-N,14-N,21-N-tris(3-phenylphenyl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene-7,14,21-triamine
CID 88555704
10,10-dimethyl-14-N,18-N,21-N-triphenyl-14-N,18-N,21-N-tris(2-phenylphenyl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-14,18,21-triamine
CID 88555573
14-N,21-N-bis(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-14-N,21-N-bis(4-phenylphenyl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene-14,21-diamine
CID 88555488
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-2-(4-phenylphenyl)aniline
CID 170142050
9,9-dimethyl-N-(2-phenylphenyl)-N-[3-(3-triphenylen-1-ylphenyl)phenyl]fluoren-2-amine
CID 153357613
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)aniline
CID 167324461
9,9-dimethyl-N,N-bis(2-phenylphenyl)fluoren-2-amine
CID 118245783
N-[3-(17,17-dimethyl-6-hexacyclo[12.11.0.02,11.03,8.016,24.018,23]pentacosa-1(25),2(11),3(8),4,6,9,12,14,16(24),18,20,22-dodecaenyl)phenyl]-N,2-diphenylaniline
CID 164721630
10,10-dimethyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-18-amine
CID 168739653
10,10-dimethyl-7-N,14-N,18-N,21-N-tetranaphthalen-1-yl-7-N,14-N,18-N,21-N-tetraphenylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-7,14,18,21-tetramine
CID 88555696
N-[4-(23,23-dimethyl-5-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaenyl)phenyl]-9,9-dimethyl-N-(3-phenylphenyl)fluoren-3-amine
CID 122493599
2-(9,9-dimethylfluoren-2-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(3-phenylphenyl)aniline
CID 170142044

Frequently Asked Questions

What is the IUPAC name of 10,10-dimethyl-14-N,21-N-bis(2-phenylphenyl)-14-N,21-N-bis(3-phenylphenyl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene-14,21-diamine?
The IUPAC name of 10,10-dimethyl-14-N,21-N-bis(2-phenylphenyl)-14-N,21-N-bis(3-phenylphenyl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene-14,21-diamine (CID 88555499) is 10,10-dimethyl-14-N,21-N-bis(2-phenylphenyl)-14-N,21-N-bis(3-phenylphenyl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene-14,21-diamine.
What is the SMILES notation for 10,10-dimethyl-14-N,21-N-bis(2-phenylphenyl)-14-N,21-N-bis(3-phenylphenyl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene-14,21-diamine?
The canonical SMILES for 10,10-dimethyl-14-N,21-N-bis(2-phenylphenyl)-14-N,21-N-bis(3-phenylphenyl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene-14,21-diamine is CC1(C)c2ccccc2-c2cc3c(N(c4cccc(-c5ccccc5)c4)c4ccccc4-c4ccccc4)c4ccccc4c(N(c4cccc(-c5ccccc5)c4)c4ccccc4-c4ccccc4)c3cc21.
What is the InChIKey of 10,10-dimethyl-14-N,21-N-bis(2-phenylphenyl)-14-N,21-N-bis(3-phenylphenyl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene-14,21-diamine?
The InChIKey is KZZKNBRZFCLVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H52N2/c1-71(2)65-42-20-17-39-59(65)62-47-63-64(48-66(62)71)70(73(56-36-24-34-54(46-56)50-27-9-4-10-28-50)68-44-22-19-38-58(68)52-31-13-6-14-32-52)61-41-16-15-40-60(61)69(63)72(55-35-23-33-53(45-55)49-25-7-3-8-26-49)67-43-21-18-37-57(67)51-29-11-5-12-30-51/h3-48H,1-2H3.
What are the key properties of 10,10-dimethyl-14-N,21-N-bis(2-phenylphenyl)-14-N,21-N-bis(3-phenylphenyl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene-14,21-diamine?
10,10-dimethyl-14-N,21-N-bis(2-phenylphenyl)-14-N,21-N-bis(3-phenylphenyl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene-14,21-diamine has a molecular weight of 933.21 g/mol, XLogP of 19.91, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10-dimethyl-14-N,21-N-bis(2-phenylphenyl)-14-N,21-N-bis(3-phenylphenyl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene-14,21-diamine is sourced from PubChem (CID 88555499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).