9-N-(9,9-dimethyl-1,2-dihydrofluoren-2-yl)-10-N,10-N-bis(9,9-dimethylfluoren-2-yl)-9-N-(9,9-dimethylfluoren-3-yl)anthracene-9,10-diamine

C74H62N2 — CID 89189750

IUPAC9-N-(9,9-dimethyl-1,2-dihydrofluoren-2-yl)-10-N,10-N-bis(9,9-dimethylfluoren-2-yl)-9-N-(9,9-dimethylfluoren-3-yl)anthracene-9,10-diamine
SMILESCC1(C)C2=C(C=CC(N(c3ccc4c(c3)-c3ccccc3C4(C)C)c3c4ccccc4c(N(c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccccc34)C2)c2ccccc21
InChIInChI=1S/C74H62N2/c1-71(2)64-32-20-16-24-52(64)60-41-45(36-40-65(60)71)75(46-33-37-53-49-21-13-17-29-61(49)72(3,4)66(53)42-46)69-56-25-9-11-27-58(56)70(59-28-12-10-26-57(59)69)76(47-34-38-54-50-22-14-18-30-62(50)73(5,6)67(54)43-47)48-35-39-55-51-23-15-19-31-63(51)74(7,8)68(55)44-48/h9-41,43-44,46H,42H2,1-8H3
InChIKeyQBWLZBOEAMDPEO-UHFFFAOYSA-N
MW979.32 g/mol
LogP19.59
Rot. Bonds6

About 9-N-(9,9-dimethyl-1,2-dihydrofluoren-2-yl)-10-N,10-N-bis(9,9-dimethylfluoren-2-yl)-9-N-(9,9-dimethylfluoren-3-yl)anthracene-9,10-diamine

9-N-(9,9-dimethyl-1,2-dihydrofluoren-2-yl)-10-N,10-N-bis(9,9-dimethylfluoren-2-yl)-9-N-(9,9-dimethylfluoren-3-yl)anthracene-9,10-diamine (PubChem CID 89189750) has the molecular formula C74H62N2 and a molecular weight of 979.32 g/mol. Its IUPAC name is 9-N-(9,9-dimethyl-1,2-dihydrofluoren-2-yl)-10-N,10-N-bis(9,9-dimethylfluoren-2-yl)-9-N-(9,9-dimethylfluoren-3-yl)anthracene-9,10-diamine.

Molecular Properties

Compound Name9-N-(9,9-dimethyl-1,2-dihydrofluoren-2-yl)-10-N,10-N-bis(9,9-dimethylfluoren-2-yl)-9-N-(9,9-dimethylfluoren-3-yl)anthracene-9,10-diamine
PubChem CID89189750
Molecular FormulaC74H62N2
Molecular Weight979.32 g/mol
Exact Mass978.49
IUPAC Name9-N-(9,9-dimethyl-1,2-dihydrofluoren-2-yl)-10-N,10-N-bis(9,9-dimethylfluoren-2-yl)-9-N-(9,9-dimethylfluoren-3-yl)anthracene-9,10-diamine
SMILESCC1(C)C2=C(C=CC(N(c3ccc4c(c3)-c3ccccc3C4(C)C)c3c4ccccc4c(N(c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccccc34)C2)c2ccccc21
InChIInChI=1S/C74H62N2/c1-71(2)64-32-20-16-24-52(64)60-41-45(36-40-65(60)71)75(46-33-37-53-49-21-13-17-29-61(49)72(3,4)66(53)42-46)69-56-25-9-11-27-58(56)70(59-28-12-10-26-57(59)69)76(47-34-38-54-50-22-14-18-30-62(50)73(5,6)67(54)43-47)48-35-39-55-51-23-15-19-31-63(51)74(7,8)68(55)44-48/h9-41,43-44,46H,42H2,1-8H3
InChIKeyQBWLZBOEAMDPEO-UHFFFAOYSA-N
XLogP19.59
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500979.32
LogP ≤ 519.59
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 9-N-(9,9-dimethyl-1,2-dihydrofluoren-2-yl)-10-N,10-N-bis(9,9-dimethylfluoren-2-yl)-9-N-(9,9-dimethylfluoren-3-yl)anthracene-9,10-diamine with MolForge

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-N,2',7'-triphenylspiro[1,2-dihydrofluorene-9,9'-xanthene]-2-amine
CID 170242116
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
23-N,30-N-bis(9,9-dimethylfluoren-2-yl)-19,19,34,34-tetramethyl-23-N,30-N-diphenyloctacyclo[16.16.0.03,16.04,9.010,15.020,33.022,31.024,29]tetratriaconta-1(18),2,4,6,8,10,12,14,16,20,22,24,26,28,30,32-hexadecaene-23,30-diamine
CID 88951419
10,10-dimethyl-14-N,21-N-diphenyl-14-N,21-N-bis(9,9'-spirobi[fluorene]-2-yl)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 88555492
7-N,14-N,18-N,21-N-tetrakis(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-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 88555720
14-N,18-N,21-N-tris(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-14-N,18-N,21-N-triphenylpentacyclo[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 88555565
9-N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-9-N,10-N-bis(9,9-dimethylfluoren-2-yl)-10-N-(9,9-dimethylfluoren-3-yl)-2-phenylanthracene-9,10-diamine
CID 89187193
bis(N,N-bis(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine);N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-3-yl)-9,9'-spirobi[fluorene]-2-amine
CID 161294273
2-N,2-N,7-N-tris(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-7-N-(9,9-dimethylfluoren-2-yl)-9,10-dimethylanthracene-2,7-diamine
CID 89152690
N,N-bis(9,9-dimethylfluoren-3-yl)-7,9,9-trimethylfluoren-2-amine
CID 163882146
N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N,6-diphenylbenzo[a]fluoren-5-amine
CID 169280376
10,10-dimethyl-7-N,7-N,14-N,14-N,21-N,21-N-hexanaphthalen-2-ylpentacyclo[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 88555642

Frequently Asked Questions

What is the IUPAC name of 9-N-(9,9-dimethyl-1,2-dihydrofluoren-2-yl)-10-N,10-N-bis(9,9-dimethylfluoren-2-yl)-9-N-(9,9-dimethylfluoren-3-yl)anthracene-9,10-diamine?
The IUPAC name of 9-N-(9,9-dimethyl-1,2-dihydrofluoren-2-yl)-10-N,10-N-bis(9,9-dimethylfluoren-2-yl)-9-N-(9,9-dimethylfluoren-3-yl)anthracene-9,10-diamine (CID 89189750) is 9-N-(9,9-dimethyl-1,2-dihydrofluoren-2-yl)-10-N,10-N-bis(9,9-dimethylfluoren-2-yl)-9-N-(9,9-dimethylfluoren-3-yl)anthracene-9,10-diamine.
What is the SMILES notation for 9-N-(9,9-dimethyl-1,2-dihydrofluoren-2-yl)-10-N,10-N-bis(9,9-dimethylfluoren-2-yl)-9-N-(9,9-dimethylfluoren-3-yl)anthracene-9,10-diamine?
The canonical SMILES for 9-N-(9,9-dimethyl-1,2-dihydrofluoren-2-yl)-10-N,10-N-bis(9,9-dimethylfluoren-2-yl)-9-N-(9,9-dimethylfluoren-3-yl)anthracene-9,10-diamine is CC1(C)C2=C(C=CC(N(c3ccc4c(c3)-c3ccccc3C4(C)C)c3c4ccccc4c(N(c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccccc34)C2)c2ccccc21.
What is the InChIKey of 9-N-(9,9-dimethyl-1,2-dihydrofluoren-2-yl)-10-N,10-N-bis(9,9-dimethylfluoren-2-yl)-9-N-(9,9-dimethylfluoren-3-yl)anthracene-9,10-diamine?
The InChIKey is QBWLZBOEAMDPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H62N2/c1-71(2)64-32-20-16-24-52(64)60-41-45(36-40-65(60)71)75(46-33-37-53-49-21-13-17-29-61(49)72(3,4)66(53)42-46)69-56-25-9-11-27-58(56)70(59-28-12-10-26-57(59)69)76(47-34-38-54-50-22-14-18-30-62(50)73(5,6)67(54)43-47)48-35-39-55-51-23-15-19-31-63(51)74(7,8)68(55)44-48/h9-41,43-44,46H,42H2,1-8H3.
What are the key properties of 9-N-(9,9-dimethyl-1,2-dihydrofluoren-2-yl)-10-N,10-N-bis(9,9-dimethylfluoren-2-yl)-9-N-(9,9-dimethylfluoren-3-yl)anthracene-9,10-diamine?
9-N-(9,9-dimethyl-1,2-dihydrofluoren-2-yl)-10-N,10-N-bis(9,9-dimethylfluoren-2-yl)-9-N-(9,9-dimethylfluoren-3-yl)anthracene-9,10-diamine has a molecular weight of 979.32 g/mol, XLogP of 19.59, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-N-(9,9-dimethyl-1,2-dihydrofluoren-2-yl)-10-N,10-N-bis(9,9-dimethylfluoren-2-yl)-9-N-(9,9-dimethylfluoren-3-yl)anthracene-9,10-diamine is sourced from PubChem (CID 89189750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).