1-N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-3-N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-5-[3-[(2E,4Z)-6-methylidene-1-phenyl-1-benzazocin-3-yl]phenyl]-1-N,3-N-diphenylbenzene-1,3-diamine

C72H61N3 — CID 129300844

IUPAC1-N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-3-N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-5-[3-[(2E,4Z)-6-methylidene-1-phenyl-1-benzazocin-3-yl]phenyl]-1-N,3-N-diphenylbenzene-1,3-diamine
SMILESC=C1/C=C\C(c2cccc(-c3cc(N(c4ccccc4)c4ccc5c(c4)C(C)(C)C4=C5C=CCC4)cc(N(c4ccccc4)c4ccc5c(c4)C(C)(C)C4C=CC=CC54)c3)c2)=C/N(c2ccccc2)c2ccccc21
InChIInChI=1S/C72H61N3/c1-49-36-37-52(48-73(54-24-9-6-10-25-54)70-35-20-17-30-61(49)70)50-22-21-23-51(42-50)53-43-59(74(55-26-11-7-12-27-55)57-38-40-64-62-31-15-18-33-66(62)71(2,3)68(64)46-57)45-60(44-53)75(56-28-13-8-14-29-56)58-39-41-65-63-32-16-19-34-67(63)72(4,5)69(65)47-58/h6-18,20-33,35-48,62,66H,1,19,34H2,2-5H3/b37-36-,52-48+
InChIKeySJORCLDUULVFQV-LVUIDHCGSA-N
MW968.30 g/mol
LogP19.57
Rot. Bonds9

About 1-N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-3-N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-5-[3-[(2E,4Z)-6-methylidene-1-phenyl-1-benzazocin-3-yl]phenyl]-1-N,3-N-diphenylbenzene-1,3-diamine

1-N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-3-N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-5-[3-[(2E,4Z)-6-methylidene-1-phenyl-1-benzazocin-3-yl]phenyl]-1-N,3-N-diphenylbenzene-1,3-diamine (PubChem CID 129300844) has the molecular formula C72H61N3 and a molecular weight of 968.30 g/mol. Its IUPAC name is 1-N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-3-N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-5-[3-[(2E,4Z)-6-methylidene-1-phenyl-1-benzazocin-3-yl]phenyl]-1-N,3-N-diphenylbenzene-1,3-diamine.

Molecular Properties

Compound Name1-N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-3-N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-5-[3-[(2E,4Z)-6-methylidene-1-phenyl-1-benzazocin-3-yl]phenyl]-1-N,3-N-diphenylbenzene-1,3-diamine
PubChem CID129300844
Molecular FormulaC72H61N3
Molecular Weight968.30 g/mol
Exact Mass967.49
IUPAC Name1-N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-3-N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-5-[3-[(2E,4Z)-6-methylidene-1-phenyl-1-benzazocin-3-yl]phenyl]-1-N,3-N-diphenylbenzene-1,3-diamine
SMILESC=C1/C=C\C(c2cccc(-c3cc(N(c4ccccc4)c4ccc5c(c4)C(C)(C)C4=C5C=CCC4)cc(N(c4ccccc4)c4ccc5c(c4)C(C)(C)C4C=CC=CC54)c3)c2)=C/N(c2ccccc2)c2ccccc21
InChIInChI=1S/C72H61N3/c1-49-36-37-52(48-73(54-24-9-6-10-25-54)70-35-20-17-30-61(49)70)50-22-21-23-51(42-50)53-43-59(74(55-26-11-7-12-27-55)57-38-40-64-62-31-15-18-33-66(62)71(2,3)68(64)46-57)45-60(44-53)75(56-28-13-8-14-29-56)58-39-41-65-63-32-16-19-34-67(63)72(4,5)69(65)47-58/h6-18,20-33,35-48,62,66H,1,19,34H2,2-5H3/b37-36-,52-48+
InChIKeySJORCLDUULVFQV-LVUIDHCGSA-N
XLogP19.57
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500968.30
LogP ≤ 519.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-3-N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-5-[3-[(2E,4Z)-6-methylidene-1-phenyl-1-benzazocin-3-yl]phenyl]-1-N,3-N-diphenylbenzene-1,3-diamine with MolForge

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Related Compounds

9,9-dimethyl-N-(3-phenylphenyl)-N-[4-(4-triphenylen-1-ylphenyl)phenyl]-7,8-dihydrofluoren-2-amine
CID 153357644
2-N,6-N-bis(4-tert-butylphenyl)-9-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-10-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-2-N,6-N-diphenylanthracene-2,6-diamine
CID 89178676
9,9-dimethyl-N-[3-[(3Z,5Z)-7-methylidene-12-phenyl-2H-thionino[2,3-b]indol-9-yl]phenyl]-N-(4-phenylphenyl)-4b,8a-dihydrofluoren-2-amine
CID 90267790
9,9-dimethyl-N-(4-methylphenyl)-N-(4-phenylphenyl)-4b,8a-dihydrofluoren-2-amine
CID 145141242
9,9-dimethyl-N-naphthalen-1-yl-N-[4-[4-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]naphthalen-1-yl]-7,8-dihydrofluoren-2-amine
CID 70894315
9,9-dimethyl-7-[(2Z,4Z)-6-methylidene-1-benzazocin-1-yl]-N,N-diphenylfluoren-2-amine
CID 129301076
9,9-dimethyl-N-[4-(9-phenyl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaen-19-yl)phenyl]-N-(3-phenylphenyl)-7,8-dihydrofluoren-2-amine
CID 135163157
4-[9-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline
CID 166723492
2-N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-2-N,6-N,6-N-tris(9,9-dimethylfluoren-2-yl)-9,10-bis(4-phenylphenyl)anthracene-2,6-diamine
CID 89189585
N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 166820061
5-[4-[(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)amino]phenyl]-8,8,14,14-tetramethyl-N,N-diphenyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-11-amine
CID 90779509
10-N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-5-N,5-N,10-N-tris(9,9-dimethylfluoren-2-yl)-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-5,10-diamine
CID 89074369

Frequently Asked Questions

What is the IUPAC name of 1-N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-3-N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-5-[3-[(2E,4Z)-6-methylidene-1-phenyl-1-benzazocin-3-yl]phenyl]-1-N,3-N-diphenylbenzene-1,3-diamine?
The IUPAC name of 1-N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-3-N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-5-[3-[(2E,4Z)-6-methylidene-1-phenyl-1-benzazocin-3-yl]phenyl]-1-N,3-N-diphenylbenzene-1,3-diamine (CID 129300844) is 1-N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-3-N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-5-[3-[(2E,4Z)-6-methylidene-1-phenyl-1-benzazocin-3-yl]phenyl]-1-N,3-N-diphenylbenzene-1,3-diamine.
What is the SMILES notation for 1-N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-3-N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-5-[3-[(2E,4Z)-6-methylidene-1-phenyl-1-benzazocin-3-yl]phenyl]-1-N,3-N-diphenylbenzene-1,3-diamine?
The canonical SMILES for 1-N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-3-N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-5-[3-[(2E,4Z)-6-methylidene-1-phenyl-1-benzazocin-3-yl]phenyl]-1-N,3-N-diphenylbenzene-1,3-diamine is C=C1/C=C\C(c2cccc(-c3cc(N(c4ccccc4)c4ccc5c(c4)C(C)(C)C4=C5C=CCC4)cc(N(c4ccccc4)c4ccc5c(c4)C(C)(C)C4C=CC=CC54)c3)c2)=C/N(c2ccccc2)c2ccccc21.
What is the InChIKey of 1-N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-3-N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-5-[3-[(2E,4Z)-6-methylidene-1-phenyl-1-benzazocin-3-yl]phenyl]-1-N,3-N-diphenylbenzene-1,3-diamine?
The InChIKey is SJORCLDUULVFQV-LVUIDHCGSA-N. The full InChI is InChI=1S/C72H61N3/c1-49-36-37-52(48-73(54-24-9-6-10-25-54)70-35-20-17-30-61(49)70)50-22-21-23-51(42-50)53-43-59(74(55-26-11-7-12-27-55)57-38-40-64-62-31-15-18-33-66(62)71(2,3)68(64)46-57)45-60(44-53)75(56-28-13-8-14-29-56)58-39-41-65-63-32-16-19-34-67(63)72(4,5)69(65)47-58/h6-18,20-33,35-48,62,66H,1,19,34H2,2-5H3/b37-36-,52-48+.
What are the key properties of 1-N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-3-N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-5-[3-[(2E,4Z)-6-methylidene-1-phenyl-1-benzazocin-3-yl]phenyl]-1-N,3-N-diphenylbenzene-1,3-diamine?
1-N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-3-N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-5-[3-[(2E,4Z)-6-methylidene-1-phenyl-1-benzazocin-3-yl]phenyl]-1-N,3-N-diphenylbenzene-1,3-diamine has a molecular weight of 968.30 g/mol, XLogP of 19.57, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-3-N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-5-[3-[(2E,4Z)-6-methylidene-1-phenyl-1-benzazocin-3-yl]phenyl]-1-N,3-N-diphenylbenzene-1,3-diamine is sourced from PubChem (CID 129300844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).