14'-bromo-N,N-diphenylspiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene]-5'-amine;14'-(N-phenylanilino)spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene]-5'-carbaldehyde

C79H53BrN2O — CID 157346934

IUPAC14'-bromo-N,N-diphenylspiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene]-5'-amine;14'-(N-phenylanilino)spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene]-5'-carbaldehyde
SMILESBrc1ccc2c(c1)C1(c3cc(N(c4ccccc4)c4ccccc4)ccc3C=C2)c2ccccc2-c2ccccc21.O=Cc1ccc2c(c1)C1(c3cc(N(c4ccccc4)c4ccccc4)ccc3C=C2)c2ccccc2-c2ccccc21
InChIInChI=1S/C40H27NO.C39H26BrN/c42-27-28-19-20-29-21-22-30-23-24-33(41(31-11-3-1-4-12-31)32-13-5-2-6-14-32)26-39(30)40(38(29)25-28)36-17-9-7-15-34(36)35-16-8-10-18-37(35)40;40-29-23-21-27-19-20-28-22-24-32(41(30-11-3-1-4-12-30)31-13-5-2-6-14-31)26-38(28)39(37(27)25-29)35-17-9-7-15-33(35)34-16-8-10-18-36(34)39/h1-27H;1-26H
InChIKeyBHBUGXBLHMFTGZ-UHFFFAOYSA-N
MW1126.21 g/mol
LogP20.58
Rot. Bonds7

About 14'-bromo-N,N-diphenylspiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene]-5'-amine;14'-(N-phenylanilino)spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene]-5'-carbaldehyde

14'-bromo-N,N-diphenylspiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene]-5'-amine;14'-(N-phenylanilino)spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene]-5'-carbaldehyde (PubChem CID 157346934) has the molecular formula C79H53BrN2O and a molecular weight of 1126.21 g/mol. Its IUPAC name is 14'-bromo-N,N-diphenylspiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene]-5'-amine;14'-(N-phenylanilino)spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene]-5'-carbaldehyde.

Molecular Properties

Compound Name14'-bromo-N,N-diphenylspiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene]-5'-amine;14'-(N-phenylanilino)spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene]-5'-carbaldehyde
PubChem CID157346934
Molecular FormulaC79H53BrN2O
Molecular Weight1126.21 g/mol
Exact Mass1124.33
IUPAC Name14'-bromo-N,N-diphenylspiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene]-5'-amine;14'-(N-phenylanilino)spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene]-5'-carbaldehyde
SMILESBrc1ccc2c(c1)C1(c3cc(N(c4ccccc4)c4ccccc4)ccc3C=C2)c2ccccc2-c2ccccc21.O=Cc1ccc2c(c1)C1(c3cc(N(c4ccccc4)c4ccccc4)ccc3C=C2)c2ccccc2-c2ccccc21
InChIInChI=1S/C40H27NO.C39H26BrN/c42-27-28-19-20-29-21-22-30-23-24-33(41(31-11-3-1-4-12-31)32-13-5-2-6-14-32)26-39(30)40(38(29)25-28)36-17-9-7-15-34(36)35-16-8-10-18-37(35)40;40-29-23-21-27-19-20-28-22-24-32(41(30-11-3-1-4-12-30)31-13-5-2-6-14-31)26-38(28)39(37(27)25-29)35-17-9-7-15-33(35)34-16-8-10-18-36(34)39/h1-27H;1-26H
InChIKeyBHBUGXBLHMFTGZ-UHFFFAOYSA-N
XLogP20.58
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms83
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001126.21
LogP ≤ 520.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 14'-bromo-N,N-diphenylspiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene]-5'-amine;14'-(N-phenylanilino)spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene]-5'-carbaldehyde with MolForge

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Related Compounds

5-N',5-N',14-N',14-N'-tetraphenylspiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene]-5',14'-diamine
CID 102322828
CID 23590222
CID 23590222
6,6,12,12-tetramethyl-2-(N-phenylanilino)indeno[1,2-b]fluorene-8-carbaldehyde
CID 89335581
2-bromo-9,9'-spirobi[fluorene];1-N,4-N,4-N-triphenylbenzene-1,4-diamine
CID 162199805
7-bromo-N,N,9,9-tetraphenylfluoren-2-amine
CID 118632342
4-(7'-bromo-9,9'-spirobi[fluorene]-2'-yl)benzaldehyde
CID 58444291
4-[bis(9,9-dimethylfluoren-2-yl)amino]benzaldehyde
CID 58098593
N-(4-bromophenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
CID 126702741
2'-bromo-N-phenyl-N-(3-phenylnaphthalen-2-yl)-9,9'-spirobi[fluorene]-2-amine
CID 176633878
6-bromo-9,9,10,10-tetramethyl-N,N-diphenylanthracen-2-amine
CID 153445557
7-bromo-9,9-diethyl-N,N-diphenylfluoren-2-amine
CID 18694816
5-bromo-1-N,3-N-bis(9,9-diphenylfluoren-2-yl)-1-N,3-N-diphenylbenzene-1,3-diamine
CID 88867924

Frequently Asked Questions

What is the IUPAC name of 14'-bromo-N,N-diphenylspiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene]-5'-amine;14'-(N-phenylanilino)spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene]-5'-carbaldehyde?
The IUPAC name of 14'-bromo-N,N-diphenylspiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene]-5'-amine;14'-(N-phenylanilino)spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene]-5'-carbaldehyde (CID 157346934) is 14'-bromo-N,N-diphenylspiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene]-5'-amine;14'-(N-phenylanilino)spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene]-5'-carbaldehyde.
What is the SMILES notation for 14'-bromo-N,N-diphenylspiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene]-5'-amine;14'-(N-phenylanilino)spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene]-5'-carbaldehyde?
The canonical SMILES for 14'-bromo-N,N-diphenylspiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene]-5'-amine;14'-(N-phenylanilino)spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene]-5'-carbaldehyde is Brc1ccc2c(c1)C1(c3cc(N(c4ccccc4)c4ccccc4)ccc3C=C2)c2ccccc2-c2ccccc21.O=Cc1ccc2c(c1)C1(c3cc(N(c4ccccc4)c4ccccc4)ccc3C=C2)c2ccccc2-c2ccccc21.
What is the InChIKey of 14'-bromo-N,N-diphenylspiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene]-5'-amine;14'-(N-phenylanilino)spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene]-5'-carbaldehyde?
The InChIKey is BHBUGXBLHMFTGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H27NO.C39H26BrN/c42-27-28-19-20-29-21-22-30-23-24-33(41(31-11-3-1-4-12-31)32-13-5-2-6-14-32)26-39(30)40(38(29)25-28)36-17-9-7-15-34(36)35-16-8-10-18-37(35)40;40-29-23-21-27-19-20-28-22-24-32(41(30-11-3-1-4-12-30)31-13-5-2-6-14-31)26-38(28)39(37(27)25-29)35-17-9-7-15-33(35)34-16-8-10-18-36(34)39/h1-27H;1-26H.
What are the key properties of 14'-bromo-N,N-diphenylspiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene]-5'-amine;14'-(N-phenylanilino)spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene]-5'-carbaldehyde?
14'-bromo-N,N-diphenylspiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene]-5'-amine;14'-(N-phenylanilino)spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene]-5'-carbaldehyde has a molecular weight of 1126.21 g/mol, XLogP of 20.58, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 14'-bromo-N,N-diphenylspiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene]-5'-amine;14'-(N-phenylanilino)spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene]-5'-carbaldehyde is sourced from PubChem (CID 157346934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).