benzo[b]fluorene-11,11-diamine

C17H14N2 — CID 126521944

IUPACbenzo[b]fluorene-11,11-diamine
SMILESNC1(N)c2ccccc2-c2cc3ccccc3cc21
InChIInChI=1S/C17H14N2/c18-17(19)15-8-4-3-7-13(15)14-9-11-5-1-2-6-12(11)10-16(14)17/h1-10H,18-19H2
InChIKeyIYLCXFNICDUGLB-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.94
Rot. Bonds

About benzo[b]fluorene-11,11-diamine

benzo[b]fluorene-11,11-diamine (PubChem CID 126521944) has the molecular formula C17H14N2 and a molecular weight of 246.31 g/mol. Its IUPAC name is benzo[b]fluorene-11,11-diamine.

Molecular Properties

Compound Namebenzo[b]fluorene-11,11-diamine
PubChem CID126521944
Molecular FormulaC17H14N2
Molecular Weight246.31 g/mol
Exact Mass246.12
IUPAC Namebenzo[b]fluorene-11,11-diamine
SMILESNC1(N)c2ccccc2-c2cc3ccccc3cc21
InChIInChI=1S/C17H14N2/c18-17(19)15-8-4-3-7-13(15)14-9-11-5-1-2-6-12(11)10-16(14)17/h1-10H,18-19H2
InChIKeyIYLCXFNICDUGLB-UHFFFAOYSA-N
XLogP2.94
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

spiro[benzo[b]fluorene-11,9'-fluorene]
CID 140775185
CID 140845137
CID 140845137
pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene-12,12-diamine
CID 170397179
10,10-dimethylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene;ethane
CID 91112944
spiro[benzo[b]fluorene-11,1'-cyclopentane]
CID 59806759
11-(2-aminoethynyl)benzo[b]fluoren-11-ol
CID 167138421
12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;ethane
CID 91266782
12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;naphthalene
CID 158911648
bis(1,4-diphenylbenzene);tetrakis(11-methylbenzo[b]fluoren-11-ol);tetrakis(9-methylfluoren-9-ol);naphthalene
CID 158732908
1'-ethylspiro[benzo[b]fluorene-11,9'-fluorene]
CID 157350027
N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)spiro[benzo[b]fluorene-11,9'-fluorene]-2'-amine
CID 134215993
N,N-diphenylspiro[benzo[b]fluorene-11,9'-fluorene]-2-amine
CID 134193979

Frequently Asked Questions

What is the IUPAC name of benzo[b]fluorene-11,11-diamine?
The IUPAC name of benzo[b]fluorene-11,11-diamine (CID 126521944) is benzo[b]fluorene-11,11-diamine.
What is the SMILES notation for benzo[b]fluorene-11,11-diamine?
The canonical SMILES for benzo[b]fluorene-11,11-diamine is NC1(N)c2ccccc2-c2cc3ccccc3cc21.
What is the InChIKey of benzo[b]fluorene-11,11-diamine?
The InChIKey is IYLCXFNICDUGLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2/c18-17(19)15-8-4-3-7-13(15)14-9-11-5-1-2-6-12(11)10-16(14)17/h1-10H,18-19H2.
What are the key properties of benzo[b]fluorene-11,11-diamine?
benzo[b]fluorene-11,11-diamine has a molecular weight of 246.31 g/mol, XLogP of 2.94, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzo[b]fluorene-11,11-diamine is sourced from PubChem (CID 126521944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).